Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018177

Phytochemical name: Hexadecen-1-ol, trans-9-

Synonymous chemical names:
Hexadecen-1-ol, trans-9-

External chemical identifiers:
CID:CID_5283282, Molport-051-573-555

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Chemical structure information

SMILES:
CCCCCC/C=C/CCCCCCCCO

InChI:
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,17H,2-6,9-16H2,1H3/b8-7+

InChIKey:
LBIYNOAMNIKVKF-BQYQJAHWSA-N

DeepSMILES:
CCCCCC/C=C/CCCCCCCCO

Functional groups:
CO, C/C=C/C

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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: 1.056

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Chemical structure download