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Co-precorrin-6A

Properties

Image

Occurences in reactions

MNX_ID

MNXM736810

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	4

formula

C₄₄H₄₅CoN₄O₁₆

charge

-7

mass

944.22009

reference

chebi:60064

InChIKey

DFFFCFUPOVLDTP-IICGDJHVSA-E

InChI

InChI=1S/C44H54N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-9/t23-,40-,41+,42+,43+,44+;/m1./s1

SMILES

C[C@]1(CC(=O)[O-])C(CCC(=O)[O-])=C2C[C@@]3(C)C(CC(=O)[O-])=C(CCC(=O)[O-])C4=[N+]3[Co-2]35N6C(=CC1=[N+]23)[C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])[C@]6(C)C1=C(CC(=O)[O-])[C@@](C)(CCC(=O)[O-])C(=[N+]15)C4

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60064 chebi:60064	Co-precorrin-6A cobalt-precorrin-6A(7-)
kegg.compound:C11542 keggC:C11542	Cobalt-precorrin 6 Cobalt-precorrin 6A
seed.compound:cpd08372 seedM:cpd08372	Cobalt-precorrin 6 Cobalt-precorrin 6A cobalt-precorrin 6 cobalt-precorrin-6A cobalt-precorrin-6x copre6
CHEBI:3794 chebi:3794	cobalt-precorrin-6A 3,3',3'',3'''-{[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt Cobalt-precorrin 6 Cobalt-precorrin 6A
metacyc.compound:CPD-9043 metacycM:CPD-9043	cobalt-precorrin-6A cobalt-precorrin-6x
keggC:M_C11542 seedM:M_cpd08372	secondary/obsolete/fantasy identifier