Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009594

Phytochemical name: Methyl ricinoleate

Synonymous chemical names:
methyl ricinolate, methyl-ricinolate, ricinoleic acid methyl ester, Methyl ricinolate, methyl ricinoleate

External chemical identifiers:
CID:CID_5354133, ChEMBL:CHEMBL3183150, ChEBI:CHEBI:156194, ZINC:ZINC000014494861, FDASRS:90FDR3O96Y, SureChEMBL:SCHEMBL290360, MolPort-003-959-458

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Chemical structure information

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

InChI:
InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10-/t18-/m1/s1

InChIKey:
XKGDWZQXVZSXAO-ADYSOMBNSA-N

DeepSMILES:
CCCCCC[C@H]C/C=C\CCCCCCCC=O)OC)))))))))))))O

Functional groups:
C/C=C\C, COC(C)=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 alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 1.485

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Chemical structure download