Summary

IMPPAT Phytochemical identifier: IMPHY006954

Phytochemical name: 3-(Amidinothio)propionic acid

Synonymous chemical names:
3-methyl-thiopropanoic-acid

External chemical identifiers:
CID:79387, ChEMBL:CHEMBL20443, ZINC:ZINC000019818588, SureChEMBL:SCHEMBL4285415, MolPort-001-786-569

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Chemical structure information

SMILES:
OC(=O)CCSC(=N)N

InChI:
InChI=1S/C4H8N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H2,(H3,5,6)(H,7,8)

InChIKey:
ICCLGNPZARKJKF-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCSC=N)N

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -0.083

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Chemical structure download