CHEBI:137696 - nickel-sirohydrochlorin a,c-diamide

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ChEBI Name nickel-sirohydrochlorin a,c-diamide
ChEBI ID CHEBI:137696
ChEBI ASCII Name nickel-sirohydrochlorin a,c-diamide
Definition A metalloporphyrin that is sirohydrochlorin a,c-diamide in which the four nitrogen atoms are bound to a central nickel atom.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H46N6NiO14
Net Charge 0
Average Mass 917.541
Monoisotopic Mass 916.24254
InChI InChI=1S/C42H48N6O14.Ni/c1-41(17-33(43)49)23(5-9-37(55)56)29-14-27-21(11-39(59)60)19(3-7-35(51)52)25(45-27)13-26-20(4-8-36(53)54)22(12-40(61)62)28(46-26)15-31-42(2,18-34(44)50)24(6-10-38(57)58)30(48-31)16-32(41)47-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H12,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-2/t23-,24-,41+,42+;/m1./s1
InChIKey RIGHEWUFSUWNMM-QIISWYHFSA-L
SMILES C=12[C@H]([C@@](CC(N)=O)(C)C=3[N+]1[Ni-2]45N6C(C3)=C(C(CCC(O)=O)=C6C=C7[N+]5=C(C=C8N4C(=C2)[C@]([C@@H]8CCC(O)=O)(CC(N)=O)C)C(=C7CCC(O)=O)CC(O)=O)CC(O)=O)CCC(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 nickel-sirohydrochlorin a,c-diamide (CHEBI:137696) has functional parent sirohydrochlorin (CHEBI:18023)
nickel-sirohydrochlorin a,c-diamide (CHEBI:137696) is a metalloporphyrin (CHEBI:25216)
nickel-sirohydrochlorin a,c-diamide (CHEBI:137696) is a nickel coordination entity (CHEBI:35438)
nickel-sirohydrochlorin a,c-diamide (CHEBI:137696) is conjugate acid of nickel-sirohydrochlorin a,c-diamide(6−) (CHEBI:136887)
Incoming nickel-sirohydrochlorin a,c-diamide(6−) (CHEBI:136887) is conjugate base of nickel-sirohydrochlorin a,c-diamide (CHEBI:137696)
IUPAC Name
{3,3',3'',3'''-[(7S,8S,12S,13S)-8,13-bis(2-amino-2-oxoethyl)-3,17-bis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetra(propanoato)(2−)}nickel
Synonym Source
Ni-sirohydrochlorin a,c-diamide ChEBI
Manual Xrefs Databases
C21511 KEGG COMPOUND
CPD-7590 MetaCyc
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Citation Waiting for Citations Type Source
27846569 PubMed citation Europe PMC
Last Modified
07 July 2017