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Co-sirohydrochlorin

Properties

Image

Occurences in reactions

MNX_ID

MNXM47447

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	3

formula

C₄₂H₃₆CoN₄O₁₆

charge

-8

mass

911.15021

reference

chebi:60049

InChIKey

XZMXJYDTAININL-QIISWYHFSA-D

InChI

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

SMILES

C[C@@]1(CC(=O)[O-])C2=CC3=[N+]4C(=Cc5c(CC(=O)[O-])c(CCC(=O)[O-])c6n5[Co-2]45N2C(=CC2=[N+]5C(=C6)C(CCC(=O)[O-])=C2CC(=O)[O-])[C@H]1CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]3CCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60049 chebi:60049	Co-sirohydrochlorin cobalt-sirohydrochlorin hexaanion cobalt-sirohydrochlorin(8-) {3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(10-)}cobalt(6-)
seed.compound:cpd08368 seedM:cpd08368	Cobalt-precorrin 2 Cobalt-factor II Cobalt-sirohydrochlorin cobalt-factor II cobalt-sirohydrochlorin copre2
kegg.compound:C11538 keggC:C11538	Cobalt-sirohydrochlorin Cobalt-factor II
CHEBI:52491 chebi:52491	cobalt-sirohydrochlorin Cobalt-factor II {3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt
metacyc.compound:COBALT-SIROHYDROCHLORIN metacycM:COBALT-SIROHYDROCHLORIN	cobalt-sirohydrochlorin cobalt-factor II
keggC:M_C11538 seedM:M_cpd08368	secondary/obsolete/fantasy identifier