Summary

IMPPAT Phytochemical identifier: IMPHY012724

Phytochemical name: alpha-Eleostearic acid

Synonymous chemical names:
alpha-eleostearic acid, eleostearic acid, alpha, α-elaeostearic acid, α-elecsteric acid, α-eleostearic acid

External chemical identifiers:
CID:5281115, ChEBI:10275, ZINC:ZINC000016343340, FDASRS:934U1Q8QHG, SureChEMBL:SCHEMBL38279

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Chemical structure information

SMILES:
CCCC/C=C/C=C/C=CCCCCCCCC(=O)O

InChI:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9-

InChIKey:
CUXYLFPMQMFGPL-WPOADVJFSA-N

DeepSMILES:
CCCC/C=C/C=C/C=CCCCCCCCC=O)O

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Lineolic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.275

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Chemical structure download