Summary

IMPPAT Phytochemical identifier: IMPHY012266

Phytochemical name: 1,2-Octadecanediol

Synonymous chemical names:
1,2-octadecanediol

External chemical identifiers:
CID:89314, ChEBI:84956, FDASRS:9J9GD77RJI, SureChEMBL:SCHEMBL439709

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC(CO)O

InChI:
InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h18-20H,2-17H2,1H3

InChIKey:
XWAMHGPDZOVVND-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCO))O

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.793

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Chemical structure download