Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013752

Phytochemical name: 2,4-Nonadien-1-ol

Synonymous chemical names:
2,4-nonadienol, (2,4) nonadienol, (2e,4e)-nonadienol

External chemical identifiers:
CID:CID_5364586, ChEBI:CHEBI:168955, ZINC:ZINC000002560465, SureChEMBL:SCHEMBL295436

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Chemical structure information

SMILES:
CCCC/C=C/C=C/CO

InChI:
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-8,10H,2-4,9H2,1H3/b6-5+,8-7+

InChIKey:
NCPWFIVLKCFWSP-BSWSSELBSA-N

DeepSMILES:
CCCC/C=C/C=C/CO

Functional groups:
C/C=C/C=C/C, 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: 2.422

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Chemical structure download