Summary

IMPPAT Phytochemical identifier: IMPHY006466

Phytochemical name: Ricinoleic acid

Synonymous chemical names:
12-hydroxyoctadec-cis-9-enoic acid (ricinoleic acid), ricinoleic, ricinoleic acid, ricinoleic acids

External chemical identifiers:
CID:643684, ChEMBL:CHEMBL3186422, ChEBI:28592, ZINC:ZINC000012954494, FDASRS:I2D0F69854, SureChEMBL:SCHEMBL18144, MolPort-003-939-239

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Chemical structure information

SMILES:
CCCCCC[C@H](C/C=CCCCCCCCC(=O)O)O

InChI:
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1

InChIKey:
WBHHMMIMDMUBKC-QJWNTBNXSA-N

DeepSMILES:
CCCCCC[C@H]C/C=CCCCCCCCC=O)O))))))))))))O

Functional groups:
C/C=CC, 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, Octadecanoids

NP Classifier Class: Hydroxy fatty acids, Other Octadecanoids

NP-Likeness score: 1.614

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Chemical structure download