7-α-hydroxy-O-carbamoyl-deacetylcephalosporin C

Chemical Formula:

C₁₅H₁₉N₄O₉S

Molecular Weight:

431.396 Daltons

Monoisotopic Mass:

433.1029239838 Daltons

SMILES:

C1(SC2(C(O)(NC(=O)CCCC([N+])C(=O)[O-])C(=O)N(C(C(=O)[O-])=C(COC(=O)N)1)2))

InChI:

1S/C15H20N4O9S/c16-7(10(21)22)2-1-3-8(20)18-15(27)12(25)19-9(11(23)24)6(4-28-14(17)26)5-29-13(15)19/h7,13,27H,1-5,16H2,(H2,17,26)(H,18,20)(H,21,22)(H,23,24)/p-1/t7-,13-,15+/m1/s1

InChIKey:

JMCGENBWRIPSAH-LNSLMCEBSA-M

Databases

MetaCyc: CPD-9125

PubChem (CID): 25202959

KEGG: C06569

Seed: cpd03976

MetaNetX: MNXM5030

ChEBI: 2286

3DMET: B02107