(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate

Chemical Formula:

C₁₆H₁₆N₂O₉S

Molecular Weight:

412.37 Daltons

Monoisotopic Mass:

414.0733008771 Daltons

SMILES:

CC(=O)OCC1(CS[CH]2(C(NC(=O)CCCC(C([O-])=O)=O)C(=O)N(C(C([O-])=O)=1)2))

InChI:

1S/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)/p-2/t11-,14-/m1/s1

InChIKey:

UKRMDFPJXIVYCZ-BXUZGUMPSA-L

Synonyms

(7R)-7-(5-carboxy-5-oxopentanamido)deacetylcephalosporanate

Databases

MetaCyc: 7-5-CARBOXYL-5-OXOPENTANYL-AMINOCEPHAL

HMDB: HMDB60316

ChEBI: 57536

PubChem (CID): 25203468

KEGG: C04712

Seed: cpd02869

MetaNetX: MNXM2752