Summary

IMPPAT Phytochemical identifier: IMPHY011936

Phytochemical name: 15-Docosenoic acid

Synonymous chemical names:
15-docosenoic-acid

External chemical identifiers:
CID:5312550, ZINC:ZINC000102182036, SureChEMBL:SCHEMBL14645625

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Chemical structure information

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

InChI:
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h7-8H,2-6,9-21H2,1H3,(H,23,24)/b8-7+

InChIKey:
KPGGPQIHJCHVLZ-BQYQJAHWSA-N

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

Functional groups:
C/C=C/C, 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: 0.725

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Chemical structure download