NP-MRD: Showing NP-Card for {3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate (NP0173803)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

1.0

Created at

2022-09-03 10:59:10 UTC

Updated at

2022-09-03 10:59:10 UTC

NP-MRD ID

NP0173803

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate

Description

{3,4,5-Trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety. {3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate is found in Corynebacterium matruchotii. {3,4,5-Trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004241501032D          

 91 92  0  0  0  0            999 V2000
  -16.9866  -30.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2296  -30.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1349  -29.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3779  -28.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2832  -28.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5262  -27.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4315  -26.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6745  -26.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5798  -25.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8227  -25.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7281  -24.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9710  -24.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8764  -23.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1193  -23.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0247  -22.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2676  -22.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6052  -22.5048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1730  -21.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8354  -20.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5925  -21.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2549  -20.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0120  -20.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6745  -20.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4315  -20.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0940  -20.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8510  -20.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5135  -20.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2705  -20.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9330  -19.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6901  -20.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3525  -19.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1096  -20.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4159  -20.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7535  -21.3574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3213  -20.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5642  -19.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4696  -18.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7125  -18.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6179  -17.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8608  -17.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1984  -17.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4413  -17.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7789  -18.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0218  -17.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9272  -16.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1701  -16.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5076  -17.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0754  -15.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379  -15.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6433  -14.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3057  -13.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2111  -13.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8735  -12.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7789  -11.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4413  -11.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3467  -10.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0091  -10.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9145   -9.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5769   -8.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4823   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0501   -6.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6559  -15.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2237  -14.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667  -14.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720  -13.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6150  -13.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203  -12.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2367  -12.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314  -11.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0884  -10.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1831  -10.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402   -9.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348   -8.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919   -8.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865   -7.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7382   -6.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8735  -18.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2111  -19.3905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6306  -19.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7252  -20.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2930  -18.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0501  -19.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2803  -17.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1857  -16.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0374  -17.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6998  -17.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1320  -18.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8891  -18.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 18 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 48 63  1  0  0  0  0
 63 64  1  0  0  0  0
 63 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 72 73  1  0  0  0  0
 73 74  1  0  0  0  0
 74 75  1  0  0  0  0
 75 76  1  0  0  0  0
 76 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 43 80  1  0  0  0  0
 80 81  1  0  0  0  0
 80 82  1  0  0  0  0
 82 83  1  0  0  0  0
 82 84  1  0  0  0  0
 41 84  1  0  0  0  0
 84 85  1  0  0  0  0
 39 86  1  0  0  0  0
 86 87  1  0  0  0  0
 86 88  1  0  0  0  0
 88 89  1  0  0  0  0
 88 90  1  0  0  0  0
 37 90  1  0  0  0  0
 90 91  1  0  0  0  0
M  END


  Mrv1533004241501032D          

 91 92  0  0  0  0            999 V2000
  -16.9866  -30.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2296  -30.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1349  -29.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3779  -28.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2832  -28.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5262  -27.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4315  -26.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6745  -26.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5798  -25.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8227  -25.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7281  -24.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9710  -24.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8764  -23.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1193  -23.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0247  -22.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2676  -22.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6052  -22.5048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1730  -21.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8354  -20.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5925  -21.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2549  -20.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0120  -20.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6745  -20.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4315  -20.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0940  -20.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8510  -20.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5135  -20.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2705  -20.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9330  -19.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6901  -20.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3525  -19.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1096  -20.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4159  -20.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7535  -21.3574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3213  -20.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5642  -19.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4696  -18.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7125  -18.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6179  -17.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8608  -17.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1984  -17.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4413  -17.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7789  -18.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0218  -17.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9272  -16.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1701  -16.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5076  -17.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0754  -15.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379  -15.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6433  -14.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3057  -13.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2111  -13.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8735  -12.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7789  -11.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4413  -11.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3467  -10.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0091  -10.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9145   -9.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5769   -8.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4823   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0501   -6.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184  -15.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6559  -15.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2237  -14.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667  -14.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720  -13.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6150  -13.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203  -12.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2367  -12.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314  -11.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0884  -10.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1831  -10.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402   -9.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348   -8.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919   -8.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865   -7.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7382   -6.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8735  -18.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2111  -19.3905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6306  -19.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7252  -20.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2930  -18.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0501  -19.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2803  -17.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1857  -16.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0374  -17.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6998  -17.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1320  -18.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8891  -18.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 18 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 48 63  1  0  0  0  0
 63 64  1  0  0  0  0
 63 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 72 73  1  0  0  0  0
 73 74  1  0  0  0  0
 74 75  1  0  0  0  0
 75 76  1  0  0  0  0
 76 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 43 80  1  0  0  0  0
 80 81  1  0  0  0  0
 80 82  1  0  0  0  0
 82 83  1  0  0  0  0
 82 84  1  0  0  0  0
 41 84  1  0  0  0  0
 84 85  1  0  0  0  0
 39 86  1  0  0  0  0
 86 87  1  0  0  0  0
 86 88  1  0  0  0  0
 88 89  1  0  0  0  0
 88 90  1  0  0  0  0
 37 90  1  0  0  0  0
 90 91  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0173803

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(COC(=O)C(CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C76H146O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h61-72,75-84H,5-60H2,1-4H3

> <INCHI_KEY>
LFRXCNXVZHVRSE-UHFFFAOYSA-N

> <FORMULA>
C76H146O15

> <MOLECULAR_WEIGHT>
1299.989

> <EXACT_MASS>
1299.066174001

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
237

> <JCHEM_AVERAGE_POLARIZABILITY>
166.43032925709934

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate

> <ALOGPS_LOGP>
8.38

> <JCHEM_LOGP>
21.100143313666667

> <ALOGPS_LOGS>
-6.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.42799126731515

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.90607680405946

> <JCHEM_PKA_STRONGEST_BASIC>
-2.931822510986575

> <JCHEM_POLAR_SURFACE_AREA>
242.12999999999997

> <JCHEM_REFRACTIVITY>
365.72949999999986

> <JCHEM_ROTATABLE_BOND_COUNT>
66

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.38e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0     -31.708 -56.695   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -30.295 -56.083   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -30.119 -54.554   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -28.705 -53.942   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -28.529 -52.412   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -27.116 -51.800   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -26.939 -50.270   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -25.526 -49.658   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -25.349 -48.128   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -23.936 -47.516   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -23.759 -45.987   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -22.346 -45.375   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -22.169 -43.845   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -20.756 -43.233   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -20.579 -41.703   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -19.166 -41.091   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -17.930 -42.009   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0     -18.990 -39.561   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -20.226 -38.643   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -21.639 -39.255   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -22.876 -38.337   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -24.289 -38.949   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -25.526 -38.031   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -26.939 -38.643   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -28.175 -37.725   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -29.589 -38.337   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -30.825 -37.419   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -32.238 -38.031   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -33.475 -37.113   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -34.888 -37.725   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -36.125 -36.808   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -37.538 -37.419   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -17.576 -38.949   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0     -16.340 -39.867   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0     -17.400 -37.419   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0     -15.987 -36.808   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -15.810 -35.278   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0     -14.397 -34.666   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0     -14.220 -33.136   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0     -12.807 -32.524   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0     -11.570 -33.442   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0     -10.157 -32.830   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -8.921 -33.748   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -7.507 -33.136   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -7.331 -31.606   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      -5.917 -30.994   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      -4.681 -31.912   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      -5.741 -29.464   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -6.977 -28.546   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -6.801 -27.017   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -8.037 -26.099   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -7.861 -24.569   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -9.097 -23.651   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -8.921 -22.121   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0     -10.157 -21.203   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -9.980 -19.673   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0     -11.217 -18.755   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0     -11.040 -17.226   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0     -12.277 -16.308   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0     -12.100 -14.778   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0     -13.337 -13.860   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0     -13.160 -12.330   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      -4.328 -28.852   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0      -3.091 -29.770   0.000  0.00  0.00           O+0
HETATM   65  C   UNK     0      -4.151 -27.323   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      -2.738 -26.711   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      -2.561 -25.181   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      -1.148 -24.569   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      -0.971 -23.039   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0       0.442 -22.427   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0       0.619 -20.897   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0       2.032 -20.285   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0       2.208 -18.755   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0       3.622 -18.144   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0       3.798 -16.614   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0       5.211 -16.002   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0       5.388 -14.472   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0       6.801 -13.860   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0       6.978 -12.330   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0      -9.097 -35.278   0.000  0.00  0.00           C+0
HETATM   81  O   UNK     0      -7.861 -36.196   0.000  0.00  0.00           O+0
HETATM   82  C   UNK     0     -10.510 -35.890   0.000  0.00  0.00           C+0
HETATM   83  O   UNK     0     -10.687 -37.419   0.000  0.00  0.00           O+0
HETATM   84  C   UNK     0     -11.747 -34.972   0.000  0.00  0.00           C+0
HETATM   85  O   UNK     0     -13.160 -35.584   0.000  0.00  0.00           O+0
HETATM   86  C   UNK     0     -15.457 -32.218   0.000  0.00  0.00           C+0
HETATM   87  O   UNK     0     -15.280 -30.688   0.000  0.00  0.00           O+0
HETATM   88  C   UNK     0     -16.870 -32.830   0.000  0.00  0.00           C+0
HETATM   89  O   UNK     0     -18.106 -31.912   0.000  0.00  0.00           O+0
HETATM   90  C   UNK     0     -17.046 -34.360   0.000  0.00  0.00           C+0
HETATM   91  O   UNK     0     -18.460 -34.972   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   33                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   18   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   90                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   86                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42   84                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44   80                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   63                                                  
CONECT   49   48   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58   60                                                       
CONECT   60   59   61                                                       
CONECT   61   60   62                                                       
CONECT   62   61                                                            
CONECT   63   48   64   65                                                  
CONECT   64   63                                                            
CONECT   65   63   66                                                       
CONECT   66   65   67                                                       
CONECT   67   66   68                                                       
CONECT   68   67   69                                                       
CONECT   69   68   70                                                       
CONECT   70   69   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   73                                                       
CONECT   73   72   74                                                       
CONECT   74   73   75                                                       
CONECT   75   74   76                                                       
CONECT   76   75   77                                                       
CONECT   77   76   78                                                       
CONECT   78   77   79                                                       
CONECT   79   78                                                            
CONECT   80   43   81   82                                                  
CONECT   81   80                                                            
CONECT   82   80   83   84                                                  
CONECT   83   82                                                            
CONECT   84   82   41   85                                                  
CONECT   85   84                                                            
CONECT   86   39   87   88                                                  
CONECT   87   86                                                            
CONECT   88   86   89   90                                                  
CONECT   89   88                                                            
CONECT   90   88   37   91                                                  
CONECT   91   90                                                            
MASTER        0    0    0    0    0    0    0    0   91    0  184    0
END

View in JSmol

Synonyms

Value	Source
{3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoic acid	Generator

Chemical Formula

C₇₆H₁₄₆O₁₅

Average Mass

1299.9890 Da

Monoisotopic Mass

1299.06617 Da

IUPAC Name

{3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate

Traditional Name

{3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(COC(=O)C(CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C76H146O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h61-72,75-84H,5-60H2,1-4H3

InChI Key

LFRXCNXVZHVRSE-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Corynebacterium matruchotii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Saccharolipids

Sub Class

Not Available

Direct Parent

Saccharolipids

Alternative Parents

Substituents

Saccharolipid
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Long chain fatty alcohol
Alkyl glycoside
Disaccharide
O-glycosyl compound
Glycosyl compound
Fatty alcohol
Beta-hydroxy acid
Fatty acid ester
Dicarboxylic acid or derivatives
Fatty acyl
Oxane
Hydroxy acid
Carboxylic acid ester
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Carboxylic acid derivative
Polyol
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	8.38	ALOGPS
logP	21.1	ChemAxon
logS	-6.6	ALOGPS
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	242.13 Å²	ChemAxon
Rotatable Bond Count	66	ChemAxon
Refractivity	365.73 m³·mol⁻¹	ChemAxon
Polarizability	166.43 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13001927

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for {3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate (NP0173803)

MOL for NP0173803 ({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate)

3D MOL for NP0173803 ({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate)

3D SDF for NP0173803 ({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate)

3D-SDF for NP0173803 ({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate)

PDB for NP0173803 ({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate)

3D PDB for NP0173803 ({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate)

SMILES for NP0173803 ({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate)

INCHI for NP0173803 ({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate)

Structure for NP0173803 ({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate)

3D Structure for NP0173803 ({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadecanoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadecanoate)