Summary

IMPPAT Phytochemical identifier: IMPHY011655

Phytochemical name: 7-Hexadecenoic acid

Synonymous chemical names:
7-hexadecenoic-acid

External chemical identifiers:
CID:543268, SureChEMBL:SCHEMBL410915

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Chemical structure information

SMILES:
CCCCCCCCC=CCCCCCC(=O)O

InChI:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)

InChIKey:
PJHOFUXBXJNUAC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=CCCCCCC=O)O

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

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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: 0.966

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Chemical structure download