Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013764

Phytochemical name: cis-10-Heptadecenoic acid

Synonymous chemical names:
cis-10-heptadecenoic acid

External chemical identifiers:
CID:CID_5312435, ChEBI:CHEBI:75094, ZINC:ZINC000095626152, FDASRS:H8A6DO053E, SureChEMBL:SCHEMBL455688, MolPort-003-941-733

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Chemical structure information

SMILES:
CCCCCC/C=C\CCCCCCCCC(=O)O

InChI:
InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,9-16H2,1H3,(H,18,19)/b8-7-

InChIKey:
GDTXICBNEOEPAZ-FPLPWBNLSA-N

DeepSMILES:
CCCCCC/C=C\CCCCCCCCC=O)O

Functional groups:
C/C=C\C, 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: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 0.915

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Chemical structure download