Summary

IMPPAT Phytochemical identifier: IMPHY006445

Phytochemical name: Cerotate

Synonymous chemical names:
hexacosanoate

External chemical identifiers:
CID:5461023, ChEBI:31013

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]

InChI:
InChI=1S/C26H52O2/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/h2-25H2,1H3,(H,27,28)/p-1

InChIKey:
XMHIUKTWLZUKEX-UHFFFAOYSA-M

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC=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 acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.068

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Chemical structure download