Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000020

Phytochemical name: 9-Hexadecenoic acid

Synonymous chemical names:
9-Hexadecenoic acid, (e)-9-hexadecenoic acid ((e)-palmitoleic acid), 9-hexadecenoic acid, 9-hexadecenoic-acid

External chemical identifiers:
CID:CID_5282745, ChEMBL:CHEMBL3182018, ChEBI:CHEBI:59265, ZINC:ZINC000014881154, FDASRS:65DJ825A3Z, SureChEMBL:SCHEMBL154754, MolPort-006-169-615

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Chemical structure information

SMILES:
CCCCCC/C=C/CCCCCCCC(=O)O

InChI:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+

InChIKey:
SECPZKHBENQXJG-BQYQJAHWSA-N

DeepSMILES:
CCCCCC/C=C/CCCCCCCC=O)O

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

Link to spectral information:
MSBNK-BS-BS004012, MSBNK-BS-BS004013, MSBNK-BS-BS004014, MSBNK-BS-BS004015, MSBNK-BS-BS004016

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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