Summary

IMPPAT Phytochemical identifier: IMPHY013556

Phytochemical name: 25-Methyltritriacont-21-ene-1,9,11-triol

Synonymous chemical names:
25-methyl tritriacont-21-en-1,9,11-triol

External chemical identifiers:
CID:86172612

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Chemical structure information

SMILES:
CCCCCCCCC(CCC=CCCCCCCCCCC(CC(CCCCCCCCO)O)O)C

InChI:
InChI=1S/C34H68O3/c1-3-4-5-6-16-21-26-32(2)27-22-17-12-10-8-7-9-11-13-18-23-28-33(36)31-34(37)29-24-19-14-15-20-25-30-35/h12,17,32-37H,3-11,13-16,18-31H2,1-2H3

InChIKey:
BOYBJOZTRHQFNM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCCCCO)))))))))O)))O)))))))))))))))C

Functional groups:
CC=CC, 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: 1.108

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Chemical structure download