CHEBI:52491 - cobalt-sirohydrochlorin

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ChEBI Name cobalt-sirohydrochlorin
ChEBI ID CHEBI:52491
Definition A metalloporphyrin that is sirohydrochlorin in which the four nitrogen atoms are bound to a central cobalt atom.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C42H44CoN4O16
Net Charge 0
Average Mass 919.74920
Monoisotopic Mass 919.20843
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-2/t23-,24-,41+,42+;/m1./s1
InChIKey XZMXJYDTAININL-QIISWYHFSA-L
SMILES C[C@]1(CC(O)=O)[C@H](CCC(O)=O)C2=CC3=[N+]4C(=Cc5c(CCC(O)=O)c(CC(O)=O)c6C=C7[N+]8=C(C=C1N2[Co--]48n56)[C@@H](CCC(O)=O)[C@]7(C)CC(O)=O)C(CCC(O)=O)=C3CC(O)=O
Roles Classification
Biological Role(s): cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via porphyrins )
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ChEBI Ontology
Outgoing cobalt-sirohydrochlorin (CHEBI:52491) has functional parent sirohydrochlorin (CHEBI:18023)
cobalt-sirohydrochlorin (CHEBI:52491) is a metalloporphyrin (CHEBI:25216)
cobalt-sirohydrochlorin (CHEBI:52491) is conjugate acid of cobalt-sirohydrochlorin(8−) (CHEBI:60049)
Incoming cobalt-sirohydrochlorin(8−) (CHEBI:60049) is conjugate base of cobalt-sirohydrochlorin (CHEBI:52491)
IUPAC Name
{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-κ4N21,N22,N23,N24]tetrapropanoato(2−)}cobalt
Synonym Source
Cobalt-factor II KEGG COMPOUND
Manual Xref Database
C11538 KEGG COMPOUND
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Last Modified
06 July 2017