Summary

IMPPAT Phytochemical identifier: IMPHY004911

Phytochemical name: 11,13-dihydroxy-9E-tetracosenoic acid

Synonymous chemical names:
axillarenic acid, axillarenic acid(11,13-dihydroxy-tetracos-trans-9-enoic acid)

External chemical identifiers:
CID:52921865, SureChEMBL:SCHEMBL5365148

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Chemical structure information

SMILES:
CCCCCCCCCCCC(CC(/C=C/CCCCCCCC(=O)O)O)O

InChI:
InChI=1S/C24H46O4/c1-2-3-4-5-6-7-9-12-15-18-22(25)21-23(26)19-16-13-10-8-11-14-17-20-24(27)28/h16,19,22-23,25-26H,2-15,17-18,20-21H2,1H3,(H,27,28)/b19-16+

InChIKey:
AKVZFALHMAASOY-KNTRCKAVSA-N

DeepSMILES:
CCCCCCCCCCCCCC/C=C/CCCCCCCC=O)O)))))))))))O)))O

Functional groups:
C/C=C/C, CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 1.314

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Chemical structure download