Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003561

Phytochemical name: Ricinoleic acid

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

External chemical identifiers:
CID:CID_643684, ChEMBL:CHEMBL3186422, ChEBI:CHEBI:28592, ZINC:ZINC000012954494, FDASRS:I2D0F69854, SureChEMBL:SCHEMBL18144, MolPort-003-939-239

---

Chemical structure information

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

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

Link to spectral information:
MSBNK-LCSB-LU021956, MSBNK-LCSB-LU021954, MSBNK-LCSB-LU021955, MSBNK-LCSB-LU021952, MSBNK-LCSB-LU021953, MSBNK-LCSB-LU021951

---

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

---

Chemical structure download