Summary

IMPPAT Phytochemical identifier: IMPHY005630

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

Synonymous chemical names:
s-(beta-carboxy-ethyl)-l-cysteine

External chemical identifiers:
CID:19945, SureChEMBL:SCHEMBL1867971

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Chemical structure information

SMILES:
OC(=O)CCSCC(C(=O)O)N

InChI:
InChI=1S/C6H11NO4S/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)

InChIKey:
FBPINGSGHKXIQA-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCSCCC=O)O))N

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

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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: 0.349

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Chemical structure download