cephalosporin C
Chemical Formula:
C16H20N3O8S
Molecular Weight:
414.409 Daltons
Monoisotopic Mass:
416.1127603886 Daltons
SMILES:
CC(=O)OCC1(CS[CH]2(C(C(=O)N(C(C(=O)[O-])=1)2)NC(=O)CCCC([N+])C(=O)[O-]))
InChI:
1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/p-1/t9-,11-,14-/m1/s1
InChIKey:
Databases
MetaCyc:
CEPHALOSPORIN-C
HMDB:
HMDB60450
ChemSpider:
10254485
ChEBI:
57511
PubChem (CID):
21627817
KEGG:
C00916
Seed:
cpd00679
MetaNetX:
MNXM1321
CAS:
61-24-5