Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002535

Phytochemical name: Myristoleic acid

Synonymous chemical names:
Myristoleic acid, myristoleic acid

External chemical identifiers:
CID:CID_5281119, ChEMBL:CHEMBL456732, ChEBI:CHEBI:27781, ZINC:ZINC000004529321, FDASRS:RF23WGD123, SureChEMBL:SCHEMBL109270, MolPort-003-958-711

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Chemical structure information

SMILES:
CCCC/C=C\CCCCCCCC(=O)O

InChI:
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-

InChIKey:
YWWVWXASSLXJHU-WAYWQWQTSA-N

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

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

Link to spectral information:
MSBNK-Keio_Univ-KO001403, MSBNK-Keio_Univ-KO001402, MSBNK-Keio_Univ-KO001401, MSBNK-Keio_Univ-KO001400, MSBNK-Keio_Univ-KO001399

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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: 1.176

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Chemical structure download