Summary

IMPPAT Phytochemical identifier: IMPHY014440

Phytochemical name: Triacontanediol

Synonymous chemical names:
triacontanediol

External chemical identifiers:
CID:54525249, SureChEMBL:SCHEMBL2355464

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)O

InChI:
InChI=1S/C30H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h30-32H,2-29H2,1H3

InChIKey:
YSRGUFACXHZRMY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)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 alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.362

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Chemical structure download