Summary

IMPPAT Phytochemical identifier: IMPHY012810

Phytochemical name: Triacontanedioic acid

Synonymous chemical names:
triacontanedioic acid

External chemical identifiers:
CID:5322010, ChEBI:165389, SureChEMBL:SCHEMBL1236072

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Chemical structure information

SMILES:
OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C30H58O4/c31-29(32)27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(33)34/h1-28H2,(H,31,32)(H,33,34)

InChIKey:
JADFUOUIMWDTFX-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=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: Dicarboxylic acids

NP-Likeness score: 0.165

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Chemical structure download