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

ChEBI IDCHEBI:230522
ChEBI Name(2R,3R,5S,6R)-6-(ethyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
Stars
ASCII Name(2R,3R,5S,6R)-6-(ethyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32N3O7S
Net Charge-1
Average Mass458.557
Monoisotopic Mass458.19664
SMILES[H][C@]1(CC)C(=O)N2[C@H](C(=O)[O-])[C@H](SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)C[C@]21[H]
InChIInChI=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
InChIKeyVBDJIAPAESIRHW-WALBABNVSA-M
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,5S,6R)-6-(ethyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate (CHEBI:230522) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
(2R,3R,5S,6R)-6-(ethyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylateUniProt
Manual XrefsDatabases
CPD-26779MetaCyc
Citations