Summary

IMPPAT Phytochemical identifier: IMPHY015480

Phytochemical name: Allyl propyl trisulfide

Synonymous chemical names:
allyl-propyl-trisulfide

External chemical identifiers:
CID:525330, SureChEMBL:SCHEMBL2929093

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Chemical structure information

SMILES:
CCCSSSCC=C

InChI:
InChI=1S/C6H12S3/c1-3-5-7-9-8-6-4-2/h3H,1,4-6H2,2H3

InChIKey:
IXJMGVJLUBBAQW-UHFFFAOYSA-N

DeepSMILES:
CCCSSSCC=C

Functional groups:
C=CC, CSSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic trisulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.514

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Chemical structure download