Summary

IMPPAT Phytochemical identifier: IMPHY005562

Phytochemical name: Hexadecenoic acid

Synonymous chemical names:
hexadecenoic, hexadecenoic acid

External chemical identifiers:
CID:5282743, ChEMBL:CHEMBL4285532, ChEBI:37252, ZINC:ZINC000032838989, SureChEMBL:SCHEMBL189080, MolPort-003-987-050

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Chemical structure information

SMILES:
CCCCCCCCCCCCC/C=C/C(=O)O

InChI:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+

InChIKey:
ZVRMGCSSSYZGSM-CCEZHUSRSA-N

DeepSMILES:
CCCCCCCCCCCCC/C=C/C=O)O

Functional groups:
C/C=C/C(=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: 0.968

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Chemical structure download