CHEBI:230522 - (2R,3R,5S,6R)-6-(ethyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate

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 (2R,3R,5S,6R)-6-(ethyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
ChEBI ID CHEBI:230522
ChEBI ASCII Name (2R,3R,5S,6R)-6-(ethyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information ChemicalBook:CB3674978, eMolecules:494174, ZINC000003861770
Download Molfile XML SDF
Formula C20H32N3O7S
Net Charge -1
Average Mass 458.550
Monoisotopic Mass 458.19665
InChI InChI=1S/C20H33N3O7S/c1-4-11-12-9-13(15(19(29)30)23(12)18(11)28)31-8-7-21-14(25)5-6-22-17(27)16(26)20(2,3)10-24/h11-13,15-16,24,26H,4-10H2,1-3H3,(H,21,25)(H,22,27)(H,29,30)/p-1/t11-,12+,13-,15+,16+/m1/s1
InChIKey VBDJIAPAESIRHW-WALBABNVSA-M
SMILES N12[C@]([C@@](CC)(C1=O)[H])(C[C@H]([C@H]2C(=O)[O-])SCCNC(CCNC(=O)[C@@H](C(CO)(C)C)O)=O)[H]
ChEBI Ontology
Outgoing (2R,3R,5S,6R)-6-(ethyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate (CHEBI:230522) is a monocarboxylic acid anion (CHEBI:35757)
Synonym Source
(2R,3R,5S,6R)-6-(ethyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate UniProt
Manual Xref Database
CPD-26779 MetaCyc accession
View more database links
Citation Type Source
26240322 PubMed citation SUBMITTER