cobalt-factor III

Chemical Formula:

C₄₃H₃₈N₄O₁₆CO

Molecular Weight:

925.72 Daltons

Monoisotopic Mass:

933.224081651 Daltons

SMILES:

CC1(=C8([N+]4(=C(C=C7(N3(C(=CC5(C(CC(=O)[O-])=C(CCC(=O)[O-])C6(=CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C1N2[Co--]34[N+]=56))))C(CCC(=O)[O-])C(C)(CC(=O)[O-])7)))C(CCC(=O)[O-])C(C)(CC(=O)[O-])8)))

InChI:

1S/C43H48N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h14-16,24-25H,4-13,17-18H2,1-3H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-10/t24-,25-,42+,43+;/m1./s1

InChIKey:

RQHZZQLPDALGEQ-CYGMIEPJSA-D

Databases

MetaCyc: COBALT-FACTOR-III

PubChem (CID): 71306346

ChEBI: 73299

KEGG: C17401

Seed: cpd17535

MetaNetX: MNXM93263