Summary

IMPPAT Phytochemical identifier: IMPHY004097

Phytochemical name: Stearate

Synonymous chemical names:
octadecanoate, stearate

External chemical identifiers:
CID:3033836, ChEBI:25629

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)[O-]

InChI:
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1

InChIKey:
QIQXTHQIDYTFRH-UHFFFAOYSA-M

DeepSMILES:
CCCCCCCCCCCCCCCCCC=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: Fatty aldehydes

NP-Likeness score: 0.096

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Chemical structure download