CHEBI:230521 - (2R,3R,5S,6R)-6-(methyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate

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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-(methyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
ChEBI ID CHEBI:230521
ChEBI ASCII Name (2R,3R,5S,6R)-6-(methyl)-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 ZINC000014714810
Download Molfile XML SDF
Formula C19H30N3O7S
Net Charge -1
Average Mass 444.520
Monoisotopic Mass 444.18100
InChI InChI=1S/C19H31N3O7S/c1-10-11-8-12(14(18(28)29)22(11)17(10)27)30-7-6-20-13(24)4-5-21-16(26)15(25)19(2,3)9-23/h10-12,14-15,23,25H,4-9H2,1-3H3,(H,20,24)(H,21,26)(H,28,29)/p-1/t10-,11+,12-,14+,15+/m1/s1
InChIKey AQNMGEYJWABTGR-MIBAYGRRSA-M
SMILES N12[C@]([C@@](C)(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-(methyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate (CHEBI:230521) is a monocarboxylic acid anion (CHEBI:35757)
Synonym Source
(2R,3R,5S,6R)-6-(methyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate UniProt
Manual Xref Database
CPD-26778 MetaCyc accession
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Citation Type Source
26240322 PubMed citation SUBMITTER