Summary

IMPPAT Phytochemical identifier: IMPHY017347

Phytochemical name: (Z)-hexadec-11-enoic acid

Synonymous chemical names:
z-11-hexadecenoic acid

External chemical identifiers:
CID:5312414, ChEBI:35464, ZINC:ZINC000013546050, SureChEMBL:SCHEMBL2286936

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Chemical structure information

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

InChI:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5-

InChIKey:
JGMYDQCXGIMHLL-WAYWQWQTSA-N

DeepSMILES:
CCCC/C=CCCCCCCCCCC=O)O

Functional groups:
C/C=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: 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: 1.045

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Chemical structure download