Summary

IMPPAT Phytochemical identifier: IMPHY000601

Phytochemical name: Triacontanoic acid

Synonymous chemical names:
1-triacontanoic acid, melissic acid, n-triacontanoic acid, triacontanoic, triacontanoic acid, triacontanoic-acid

External chemical identifiers:
CID:10471, ChEBI:31003, ZINC:ZINC000006920383, FDASRS:HLT2OTQ105, SureChEMBL:SCHEMBL133806, MolPort-003-926-154

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C30H60O2/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/h2-29H2,1H3,(H,31,32)

InChIKey:
VHOCUJPBKOZGJD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=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: Hydroxy fatty acids, Unsaturated fatty acids

NP-Likeness score: 0.217

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Chemical structure download