Summary

IMPPAT Phytochemical identifier: IMPHY003746

Phytochemical name: Hentriacontan-16-ol

Synonymous chemical names:
16-hentriacontanol, hentriacontan-16-ol

External chemical identifiers:
CID:9548843, ChEBI:35985, ZINC:ZINC000059724800, SureChEMBL:SCHEMBL3176639

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)O

InChI:
InChI=1S/C31H64O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3

InChIKey:
CLDFUWPQRCVRHQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)))))))))))))))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: 0.397

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Chemical structure download