Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001772

Phytochemical name: Octacosanoic acid

Synonymous chemical names:
montanic acid, n-octacosanoic acid, Octacosanoic acid, octacosanoic acid, Montanic acid

External chemical identifiers:
CID:CID_10470, ChEMBL:CHEMBL2261064, ChEBI:CHEBI:31001, ZINC:ZINC000006920382, FDASRS:4BKL1A0KJY, SureChEMBL:SCHEMBL49866, MolPort-002-485-414

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C28H56O2/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/h2-27H2,1H3,(H,29,30)

InChIKey:
UTOPWMOLSKOLTQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O

Functional groups:
CC(=O)O

Link to spectral information:
MSBNK-Osaka_Univ-OUF00400

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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: 0.231

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Chemical structure download