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CHEBI:230520 - (2R,3R,5R)-2-(S-pantetheinyl)-carbapenam-3-carboxylate

ChEBI IDCHEBI:230520
ChEBI Name(2R,3R,5R)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
Stars
ASCII Name(2R,3R,5R)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H28N3O7S
Net Charge-1
Average Mass430.503
Monoisotopic Mass430.16534
SMILES[H][C@]12CC(=O)N1[C@H](C(=O)[O-])[C@H](SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)C2
InChIInChI=1S/C18H29N3O7S/c1-18(2,9-22)15(25)16(26)20-4-3-12(23)19-5-6-29-11-7-10-8-13(24)21(10)14(11)17(27)28/h10-11,14-15,22,25H,3-9H2,1-2H3,(H,19,23)(H,20,26)(H,27,28)/p-1/t10-,11+,14-,15-/m0/s1
InChIKeyXJMYKDFZQNYDFC-JLUCKKNBSA-M
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,5R)-2-(S-pantetheinyl)-carbapenam-3-carboxylate (CHEBI:230520) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
(2R,3R,5R)-2-(S-pantetheinyl)-carbapenam-3-carboxylateUniProt
Manual XrefsDatabases
CPD-26777MetaCyc
Citations