Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010326

Phytochemical name: Tritriacontanoic acid

Synonymous chemical names:
Tritriacontanoic acid, tritriacontanoic acid

External chemical identifiers:
CID:CID_181572, ChEBI:CHEBI:165446, ZINC:ZINC000059065086, FDASRS:5LSY5B2356, SureChEMBL:SCHEMBL7647614

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C33H66O2/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/h2-32H2,1H3,(H,34,35)

InChIKey:
HQRWEDFDJHDPJC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=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: 0.198

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Chemical structure download