Summary

IMPPAT Phytochemical identifier: IMPHY001075

Phytochemical name: Heptacosane-6,8-diol

Synonymous chemical names:
(6r*,8s*)-6,8-heptacosanediol

External chemical identifiers:
CID:10387002, ChEMBL:CHEMBL131679

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O

InChI:
InChI=1S/C27H56O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h26-29H,3-25H2,1-2H3

InChIKey:
VOOVQMDKNDAOJU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC)))))O)))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: 0.572

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Chemical structure download