CHEBI:230520 - (2R,3R,5S)-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)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
ChEBI ID CHEBI:230520
ChEBI ASCII Name (2R,3R,5S)-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 No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H28N3O7S
Net Charge -1
Average Mass 430.500
Monoisotopic Mass 430.16535
InChI InChI=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
InChIKey XJMYKDFZQNYDFC-JLUCKKNBSA-M
SMILES N12[C@](CC1=O)(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)-2-(S-pantetheinyl)-carbapenam-3-carboxylate (CHEBI:230520) is a monocarboxylic acid anion (CHEBI:35757)
Synonym Source
(2R,3R,5S)-2-(S-pantetheinyl)-carbapenam-3-carboxylate UniProt
Manual Xref Database
CPD-26777 MetaCyc accession
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