Summary

IMPPAT Phytochemical identifier: IMPHY004631

Phytochemical name: Stearic acid

Synonymous chemical names:
octadecanoic acid, octadecanoic acid (stearic acid), stearic, stearic acid, stearic acid [octadecanoic acid], stearic acids, stearic-acid, stearicacid, stearicacid(c18_0)

External chemical identifiers:
CID:5281, ChEMBL:CHEMBL46403, ChEBI:28842, ZINC:ZINC000004978673, FDASRS:4ELV7Z65AP, SureChEMBL:SCHEMBL659, MolPort-002-317-291

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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)

InChIKey:
QIQXTHQIDYTFRH-UHFFFAOYSA-N

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 Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 0.347

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Chemical structure download