2-Guanidinoethanesulfinic acid

AlkaPlorer ID: AK299702

Synonym: 2-[(Aminoiminomethyl)amino]ethanesulfinic acid, Hypotaurocyamine

IUPAC Name: 2-(diaminomethylideneamino)ethanesulfinic acid

Structure

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

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InChI: InChI=1S/C3H9N3O2S/c4-3(5)6-1-2-9(7)8/h1-2H2,(H,7,8)(H4,4,5,6)

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InChIKey: KYRKWKDNGQIWHP-UHFFFAOYSA-N

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Reference

PubChem CID: 11062553

CAS: 1119-54-6

Properties Information

Molecule Weight: 151.191

TPSA: 99.2

MolLogP: -1.30883

Number of H-Donors: 4

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT016237 N=C(N)NCCS(=O)O>>N=C(NCCS(=O)(=O)O)NP(=O)(O)O MNXR134398
AKRT016238 N=C(N)NCCS(=O)O>>N=C(NCCS(=O)O)NP(=O)(O)O enzymemap_47806
AKRT016291 N=C(NCCS(=O)O)NP(=O)(O)O>>N=C(N)NCCS(=O)O enzymemap_47806