Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004100

Phytochemical name: 3-Sulfanyl-2-(sulfanylmethyl)propanoic acid

Synonymous chemical names:
dihydroasparagusic acid

External chemical identifiers:
CID:CID_440312, ChEBI:CHEBI:17919, SureChEMBL:SCHEMBL350816, MolPort-046-592-783

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Chemical structure information

SMILES:
SCC(C(=O)O)CS

InChI:
InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)

InChIKey:
KRHAHEQEKNJCSD-UHFFFAOYSA-N

DeepSMILES:
SCCC=O)O))CS

Functional groups:
CS, CC(=O)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acids

NP-Likeness score: 0.401

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Chemical structure download