cobalt-sirohydrochlorin

Chemical Formula:

C₄₂H₃₆N₄O₁₆CO

Molecular Weight:

911.694 Daltons

Monoisotopic Mass:

919.2084315868 Daltons

SMILES:

CC1(CC(=O)[O-])(C2(=CC5(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C6(=CC4(=C(CC(=O)[O-])C(CCC(=O)[O-])=C3(C=C8(C(CCC(=O)[O-])=C(CC(=O)[O-])C7(C=C(C(CCC(=O)[O-])1)N2[Co--](N34)([N+]=56)[N+]=78))))))))

InChI:

1S/C42H46N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-10/t23-,24-,41+,42+;/m1./s1

InChIKey:

XZMXJYDTAININL-QIISWYHFSA-D

Synonyms

cobalt-factor II

Databases

MetaCyc: COBALT-SIROHYDROCHLORIN

PubChem (CID): 70678581

ChEBI: 60049

KEGG: C11538

MetaNetX: MNXM47447