Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002002

Phytochemical name: Propyl cis-1-propenyl pentasulfide

Synonymous chemical names:
propyl cis-l-propenyl pentasulfide

External chemical identifiers:
CID:CID_6429314

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Chemical structure information

SMILES:
CCCSSSSS/C=C\C

InChI:
InChI=1S/C6H12S5/c1-3-5-7-9-11-10-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-

InChIKey:
FIABOFOWKCHXJG-HYXAFXHYSA-N

DeepSMILES:
CCCSSSSS/C=C\C

Functional groups:
C/C=C\SSSSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Sulfenyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.278

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Chemical structure download