Summary

IMPPAT Phytochemical identifier: IMPHY005592

Phytochemical name: Heptatriacontanoic acid

Synonymous chemical names:
heptatriacontanoic acid

External chemical identifiers:
CID:5282597, ChEMBL:CHEMBL3103071, ChEBI:165442, SureChEMBL:SCHEMBL1471133

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C37H74O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(38)39/h2-36H2,1H3,(H,38,39)

InChIKey:
DEQQJCLFURALOA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O

Functional groups:
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: 0.178

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Chemical structure download