cephamycin C

Chemical Formula:

C₁₆H₂₁N₄O₉S

Molecular Weight:

445.423 Daltons

Monoisotopic Mass:

447.118574048 Daltons

SMILES:

COC1(NC(=O)CCCC([N+])C(=O)[O-])(C(=O)N2(C(C(=O)[O-])=C(COC(=O)N)CSC12))

InChI:

1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/p-1/t8-,14-,16+/m1/s1

InChIKey:

LXWBXEWUSAABOA-VXSYNFHWSA-M

Databases

MetaCyc: CPD-9123

MetaboLights: MTBLC3543

ChEBI: 3543

PubChem (CID): 25200392

KEGG: C06566

Seed: cpd03974

MetaNetX: MNXM8386