Summary

IMPPAT Phytochemical identifier: IMPHY010276

Phytochemical name: Foetisulfide C

Synonymous chemical names:
foetisulfide c

External chemical identifiers:
CID:11042864, ChEMBL:CHEMBL1077966, SureChEMBL:SCHEMBL2255548

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Chemical structure information

SMILES:
CCC(SSC/C=C/OS(=O)C)C

InChI:
InChI=1S/C8H16O2S3/c1-4-8(2)12-11-7-5-6-10-13(3)9/h5-6,8H,4,7H2,1-3H3/b6-5+

InChIKey:
OQCBJFYTNWYVQJ-AATRIKPKSA-N

DeepSMILES:
CCCSSC/C=C/OS=O)C))))))))C

Functional groups:
C/C=C/OS(C)=O, CSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

ClassyFire Subclass: Dialkyldisulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 1.888

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Chemical structure download