CHEBI:186057 - S-methylcaptopril

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 S-methylcaptopril
ChEBI ID CHEBI:186057
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H17NO3S
Net Charge 0
Average Mass 231.310
Monoisotopic Mass 231.09291
InChI InChI=1S/C10H17NO3S/c1-7(6-15-2)9(12)11-5-3-4-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)/t7-,8+/m1/s1
InChIKey QIAJJGXZCRBHQT-SFYZADRCSA-N
SMILES S(C[C@H](C(=O)N1[C@@H](CCC1)C(O)=O)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing S-methylcaptopril (CHEBI:186057) is a proline derivative (CHEBI:26273)
IUPAC Name
(2S)-1-[(2S)-2-methyl-3-methylsulanylpropanoyl]pyrrolidine-2-carboxylic acid
Manual Xref Database
117277 ChemSpider
View more database links
Registry Number Type Source
78636-29-0 CAS Registry Number ChemIDplus