NP-MRD: Showing NP-Card for {[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid (NP0230477)

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Record Information

Version

1.0

Created at

2022-09-06 10:56:10 UTC

Updated at

2022-09-06 10:56:10 UTC

NP-MRD ID

NP0230477

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid

Description

Motualevic acid A, also known as motualevate a, belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Motualevic acid A is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. It was first documented in 2009 (PMID: 19191563). Based on a literature review very few articles have been published on motualevic acid A (PMID: 20538459).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 46  0  0  0  0  0  0  0  0999 V2000
   -6.9294   -2.2442    0.4360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8055   -1.5444   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9687   -2.1335   -0.5463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5795   -0.0970   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3202    0.3453    0.2375 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1776    0.0248   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1272   -0.7950   -1.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9528    0.5241    0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7942    0.1872   -0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4945    0.6785    0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7406    1.4839   -0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482    1.9817   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4406    0.8511    0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734   -0.0635   -0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6493   -1.1807   -0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279   -0.6623    0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6760    0.1292   -0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9634    0.5988   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7394   -0.5928    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0282   -0.7527    1.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0211   -2.2780    2.1144 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4700    0.5174    2.8642 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -9.8593   -2.0959   -0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3743    0.5098    0.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7166    0.1753   -1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6182   -1.6794   -1.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    1.1692    1.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7265   -0.4504   -1.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6110    1.1909    1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080   -0.2562    0.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4017    2.3470   -1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6106    0.8743   -1.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2882    2.5694    0.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1079    2.6044   -0.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9331    0.3028    1.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795    1.2819    0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8104   -0.4861   -1.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    0.5290   -1.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0712   -1.7933    0.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8779   -1.8822   -1.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7880   -0.0384    1.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -1.5358    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878    1.0358   -1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8855   -0.4482   -1.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5723    1.1440   -0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7370    1.2591    0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0519   -1.3048   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0
  2  1  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  7 26  1  0
  8 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 11 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 19 47  1  0
M  END


  Mrv1652309062212562D          

 22 21  0  0  0  0            999 V2000
    2.0921    6.9829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    6.9829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    5.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    5.3329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    4.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092    3.2704    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    2.0329    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0230477

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(=O)CN=C(O)\C=C\CCCCCCCCCC=C(Br)Br

> <INCHI_IDENTIFIER>
InChI=1S/C16H25Br2NO3/c17-14(18)11-9-7-5-3-1-2-4-6-8-10-12-15(20)19-13-16(21)22/h10-12H,1-9,13H2,(H,19,20)(H,21,22)/b12-10+

> <INCHI_KEY>
ZLIHRGDEFDFVOK-ZRDIBKRKSA-N

> <FORMULA>
C16H25Br2NO3

> <MOLECULAR_WEIGHT>
439.188

> <EXACT_MASS>
437.02012

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
41.47813256554595

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[(2E)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid

> <JCHEM_LOGP>
5.632808552653627

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.662515139843467

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.060802927529083

> <JCHEM_PKA_STRONGEST_BASIC>
2.556666674522849

> <JCHEM_POLAR_SURFACE_AREA>
69.89

> <JCHEM_REFRACTIVITY>
107.94160000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
{[(2E)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  O   UNK     0       3.905  13.035   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       5.239  12.265   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       6.573  13.035   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       5.239  10.725   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       6.573   9.955   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       6.573   8.415   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       5.239   7.645   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       7.906   7.645   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.906   6.105   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.574   6.105   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.907   5.335   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.241   6.105   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.575   5.335   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.908   6.105   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      17.242   5.335   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      18.576   6.105   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      19.909   5.335   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      21.243   6.105   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      22.577   5.335   0.000  0.00  0.00           C+0
HETATM   21 Br   UNK     0      23.910   6.105   0.000  0.00  0.00          Br+0
HETATM   22 Br   UNK     0      22.577   3.795   0.000  0.00  0.00          Br+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    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                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   42    0
END

View in JSmol

Synonyms

Value	Source
Motualevate a	Generator

Chemical Formula

C₁₆H₂₅Br₂NO₃

Average Mass

439.1880 Da

Monoisotopic Mass

437.02012 Da

IUPAC Name

2-{[(2E)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid

Traditional Name

{[(2E)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid

CAS Registry Number

Not Available

SMILES

OC(=O)CN=C(O)\C=C\CCCCCCCCCC=C(Br)Br

InChI Identifier

InChI=1S/C16H25Br2NO3/c17-14(18)11-9-7-5-3-1-2-4-6-8-10-12-15(20)19-13-16(21)22/h10-12H,1-9,13H2,(H,19,20)(H,21,22)/b12-10+

InChI Key

ZLIHRGDEFDFVOK-ZRDIBKRKSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Substituents

N-acyl-alpha-amino acid
N-acyl-amine
Carboxamide group
Ketene acetal or derivatives
Secondary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Vinyl bromide
Vinyl halide
Haloalkene
Bromoalkene
Organonitrogen compound
Organobromide
Organohalogen compound
Organic oxide
Organopnictogen compound
Organooxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Organic oxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

organobromine compound (CHEBI:66405 )
monocarboxylic acid (CHEBI:66405 )
enamide (CHEBI:66405 )
fatty amide (CHEBI:66405 )
N-acylglycine (CHEBI:66405 )

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	5.63	ChemAxon
pKa (Strongest Acidic)	4.06	ChemAxon
pKa (Strongest Basic)	2.56	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	69.89 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	107.94 m³·mol⁻¹	ChemAxon
Polarizability	41.48 Å³	ChemAxon
Number of Rings	0	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

25034793

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25242622

PDB ID

Not Available

ChEBI ID

66405

Good Scents ID

Not Available

References

General References

Keffer JL, Plaza A, Bewley CA: Motualevic acids A-F, antimicrobial acids from the sponge Siliquariaspongia sp. Org Lett. 2009 Mar 5;11(5):1087-90. doi: 10.1021/ol802890b. [PubMed:19191563 ]
Cheruku P, Keffer JL, Dogo-Isonagie C, Bewley CA: Motualevic acids and analogs: synthesis and antimicrobial structure-activity relationships. Bioorg Med Chem Lett. 2010 Jul 15;20(14):4108-11. doi: 10.1016/j.bmcl.2010.05.073. Epub 2010 Jun 9. [PubMed:20538459 ]
LOTUS database [Link]

Showing NP-Card for {[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid (NP0230477)

MOL for NP0230477 ({[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid)

3D MOL for NP0230477 ({[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid)

3D SDF for NP0230477 ({[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid)

3D-SDF for NP0230477 ({[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid)

PDB for NP0230477 ({[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid)

3D PDB for NP0230477 ({[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid)

SMILES for NP0230477 ({[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid)

INCHI for NP0230477 ({[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid)

Structure for NP0230477 ({[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid)

3D Structure for NP0230477 ({[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid)