Summary

IMPPAT Phytochemical identifier: IMPHY012806

Phytochemical name: 11-Oxotriacontanoic acid

Synonymous chemical names:
11-oxotriacontanoic acid

External chemical identifiers:
CID:5320340, ZINC:ZINC000070454182, SureChEMBL:SCHEMBL6691538

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCC(=O)O

InChI:
InChI=1S/C30H58O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-29(31)27-24-21-18-16-19-22-25-28-30(32)33/h2-28H2,1H3,(H,32,33)

InChIKey:
HZSPEMFCEKPTSF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=O)CCCCCCCCCC=O)O

Functional groups:
CC(=O)O, CC(C)=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: 0.37

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Chemical structure download