Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000074

Phytochemical name: Palmitoleic acid

Synonymous chemical names:
(z)-hexadec-9-enoic acid, palmitoleic-acid, Palmitoleic acid, palmitoleic acid (c16:1), palmitoleic, (z)-9-hexadecenoic acid (syn. palmitoleic acid), cis-9-hexadecenoic acid, 9-hexadecenoic acid (cas), palmistoleic acid, cis-hexadec-9-enoic acid, palmitileic acid, Palmitoleic Acid, Cis-9-hexadecenoic acid, palmitoleic acid (c16_1), palmitoleic acid

External chemical identifiers:
CID:CID_445638, ChEMBL:CHEMBL453509, ChEBI:CHEBI:28716, ZINC:ZINC000008221009, FDASRS:209B6YPZ4I, SureChEMBL:SCHEMBL33310, MolPort-001-740-137

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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-FPLPWBNLSA-N

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

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

Link to spectral information:
MSBNK-Keio_Univ-KO001627, MSBNK-RIKEN_ReSpect-PS056601, MSBNK-Osaka_Univ-OUF00412, MSBNK-Keio_Univ-KO001630, MSBNK-Keio_Univ-KO001629, MSBNK-Keio_Univ-KO001628, MSBNK-RIKEN_ReSpect-PS056602, MSBNK-Keio_Univ-KO001626, MSBNK-BS-BS003994, MSBNK-BS-BS003995, MSBNK-BS-BS003993, MSBNK-Antwerp_Univ-METOX_N107359_4D57, MSBNK-Antwerp_Univ-METOX_N107326_B8BB, MSBNK-Antwerp_Univ-METOX_N107326_9CB7, MSBNK-Antwerp_Univ-METOX_N107326_9C9C, MSBNK-BS-BS003996

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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