Summary

IMPPAT Phytochemical identifier: IMPHY009972

Phytochemical name: 29-Dotriacontenoic acid, 30-methyl-28-oxo-

Synonymous chemical names:
30-methyl-28-oxodotriacont-29-en-oic acid

External chemical identifiers:
CID:71338159

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Chemical structure information

SMILES:
CCC(=CC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)C

InChI:
InChI=1S/C33H62O3/c1-3-31(2)30-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)36/h30H,3-29H2,1-2H3,(H,35,36)

InChIKey:
WSXDHGDJDNUMIM-UHFFFAOYSA-N

DeepSMILES:
CCC=CC=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O))))))))))))))))))))))))))))))C

Functional groups:
CC(=O)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: Oxo fatty acids

NP-Likeness score: 0.684

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Chemical structure download