Captopril-cysteine disulfide (CHEBI:169102)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Captopril-cysteine disulfide

ChEBI ID	CHEBI:169102

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H20N2O5S2

Net Charge

Average Mass

336.420

Monoisotopic Mass

336.08136

InChI

InChI=1S/C12H20N2O5S2/c1-7(5-20-21-6-8(13)11(16)17)10(15)14-4-2-3-9(14)12(18)19/h7-9H,2-6,13H2,1H3,(H,16,17)(H,18,19)/t7-,8+,9+/m1/s1

InChIKey

NEEBNBLVYKFVTK-VGMNWLOBSA-N

SMILES

S(SC[C@H](N)C(O)=O)C[C@H](C(=O)N1[C@@H](CCC1)C(O)=O)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	Captopril-cysteine disulfide (CHEBI:169102) is a S-conjugate (CHEBI:64987)

IUPAC Name

(2S)-1-[(2S)-3-[[(2R)-2-amino-2-carboxyethyl]disulanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

Registry Number	Type	Source
75479-46-8	CAS Registry Number	ChemIDplus