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

ChEBI IDCHEBI:230521
ChEBI Name(2R,3R,5S,6R)-6-(methyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
Stars
ASCII Name(2R,3R,5S,6R)-6-(methyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H30N3O7S
Net Charge-1
Average Mass444.530
Monoisotopic Mass444.18099
SMILES[H][C@]1(C)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/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
InChIKeyAQNMGEYJWABTGR-MIBAYGRRSA-M
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,5S,6R)-6-(methyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate (CHEBI:230521) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
(2R,3R,5S,6R)-6-(methyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylateUniProt
Manual XrefsDatabases
CPD-26778MetaCyc
Citations