Summary

IMPPAT Phytochemical identifier: IMPHY003294

Phytochemical name: Hentriacontanoic acid

Synonymous chemical names:
hentriacontanoic acid

External chemical identifiers:
CID:37982, ChEBI:165441, ZINC:ZINC000085507968, FDASRS:B8P9L2CU4E, SureChEMBL:SCHEMBL1803770

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C31H62O2/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/h2-30H2,1H3,(H,32,33)

InChIKey:
ONLMUMPTRGEPCH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=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: 0.21

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Chemical structure download