Summary
IMPPAT Phytochemical identifier: IMPHY006972
Phytochemical name: 1-Octacosanol
Synonymous chemical names:1-octacosanol, n-octacosanol, octacosan-1-ol, octacosanol, octacosyl alcohol
External chemical identifiers:CID:68406, ChEMBL:CHEMBL1951714, ChEBI:28243, ZINC:ZINC000008221075, FDASRS:81I2215OVK, SureChEMBL:SCHEMBL16043, MolPort-003-959-077
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOInChI:
InChI=1S/C28H58O/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/h29H,2-28H2,1H3InChIKey:
CNNRPFQICPFDPO-UHFFFAOYSA-NDeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOFunctional groups:
CO
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire 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: 0.259
Chemical structure download