O-carbamoyl-deacetylcephalosporin C
Chemical Formula:
C15H19N4O8S
Molecular Weight:
415.397 Daltons
Monoisotopic Mass:
417.1080093617 Daltons
SMILES:
C1(SC2(C(NC(=O)CCCC([N+])C(=O)[O-])C(=O)N(C(C(=O)[O-])=C(COC(=O)N)1)2))
InChI:
1S/C15H20N4O8S/c16-7(13(22)23)2-1-3-8(20)18-9-11(21)19-10(14(24)25)6(4-27-15(17)26)5-28-12(9)19/h7,9,12H,1-5,16H2,(H2,17,26)(H,18,20)(H,22,23)(H,24,25)/p-1/t7-,9-,12-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-9124
PubChem (CID):
25200919
KEGG:
C06568
Seed:
cpd03975
MetaNetX:
MNXM5246
ChEBI:
7678
3DMET:
B02106