cobalt-precorrin-2

Chemical Formula:

C₄₂H₃₇N₄O₁₆CO

Molecular Weight:

912.701 Daltons

Monoisotopic Mass:

920.2162566188999 Daltons

SMILES:

CC3(C4(=CC1(=[N+]6(C(C(C1CCC([O-])=O)(CC(=O)[O-])C)=CC2(N5(C(=C(C=2CC(=O)[O-])CCC(=O)[O-])CC8(N7(C(C=C(C(CCC(=O)[O-])3)N4[Co--]567)=C(C(CCC(=O)[O-])=8)CC([O-])=O))))))))CC(=O)[O-]

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;/h14-16,23-24H,3-13,17-18H2,1-2H3,(H9,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-2;+2/p-9/b29-14-,31-15-;/t23-,24-,41+,42+;/m1./s1

InChIKey:

LSYVTVRLOVEXCI-URAPKPMPSA-E

Synonyms

cobalt-dihydrosirohydrochlorin

Databases

MetaCyc: CPD-9039

PubChem (CID): 91820486

ChEBI: 3790

Seed: cpd08368

MetaNetX: MNXM1420