Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001876

Phytochemical name: 2-Azaniumyl-3-propylsulfinylpropanoate

Synonymous chemical names:
(r)c(r)s- s-propylcysteine sulfoxide

External chemical identifiers:
CID:CID_25202184, ChEBI:CHEBI:173840, SureChEMBL:SCHEMBL17789223

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Chemical structure information

SMILES:
[O-]C(=O)C([NH3+])CS(=O)CCC

InChI:
InChI=1S/C6H13NO3S/c1-2-3-11(10)4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)

InChIKey:
JZKMSAGUCSIIAH-UHFFFAOYSA-N

DeepSMILES:
[O-]C=O)C[NH3+])CS=O)CCC

Functional groups:
CC(=O)[O-], C[NH3+], CS(C)=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: Amino acids, peptides, and analogues

NP-Likeness score: 0.054

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Chemical structure download