Summary

IMPPAT Phytochemical identifier: IMPHY015978

Phytochemical name: 4-Hydroxy-16,18-tritriacontanedione

Synonymous chemical names:
tritriacontane-16,18-dione, 4-hydroxy

External chemical identifiers:
CID:86127859, ChEBI:172722, SureChEMBL:SCHEMBL8818096

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCC(CCC)O

InChI:
InChI=1S/C33H64O3/c1-3-5-6-7-8-9-10-11-12-14-18-21-24-28-32(35)30-33(36)29-25-22-19-16-13-15-17-20-23-27-31(34)26-4-2/h31,34H,3-30H2,1-2H3

InChIKey:
IUABXSHIXYIRMH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)CC=O)CCCCCCCCCCCCCCC)))O

Functional groups:
CC(C)=O, 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, Oxygenated hydrocarbons

NP-Likeness score: 0.763

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Chemical structure download