Summary

IMPPAT Phytochemical identifier: IMPHY005971

Phytochemical name: 2-Amino-3-(propyldisulfanyl)propanoic acid

Synonymous chemical names:
s-propylthio-l-cysteine

External chemical identifiers:
CID:560398, SureChEMBL:SCHEMBL5003612

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Chemical structure information

SMILES:
CCCSSCC(C(=O)O)N

InChI:
InChI=1S/C6H13NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)

InChIKey:
JVVXIPKJTDVPQZ-UHFFFAOYSA-N

DeepSMILES:
CCCSSCCC=O)O))N

Functional groups:
CC(=O)O, CN, CSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 1.101

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Chemical structure download