CHEBI:137678 - nickel-sirohydrochlorin

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ChEBI Name nickel-sirohydrochlorin
ChEBI ID CHEBI:137678
Definition A metalloporphyrin that is sirohydrochlorin 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 C42H44N4NiO16
Net Charge 0
Average Mass 919.511
Monoisotopic Mass 918.21057
InChI InChI=1S/C42H46N4O16.Ni/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 CSCBRZIGJLRQGM-QIISWYHFSA-L
SMILES C=12[C@H]([C@@](CC(O)=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(O)=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 (CHEBI:137678) has functional parent sirohydrochlorin (CHEBI:18023)
nickel-sirohydrochlorin (CHEBI:137678) is a metalloporphyrin (CHEBI:25216)
nickel-sirohydrochlorin (CHEBI:137678) is a nickel coordination entity (CHEBI:35438)
nickel-sirohydrochlorin (CHEBI:137678) is conjugate acid of nickel-sirohydrochlorin(8−) (CHEBI:136841)
Incoming nickel-sirohydrochlorin(8−) (CHEBI:136841) is conjugate base of nickel-sirohydrochlorin (CHEBI:137678)
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−)}nickel
Synonym Source
Ni-sirohydrochlorin ChEBI
Manual Xrefs Databases
C21510 KEGG COMPOUND
CPD-7564 MetaCyc
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Last Modified
05 July 2017