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CHEBI:137678 - nickel-sirohydrochlorin

ChEBI IDCHEBI:137678
ChEBI Namenickel-sirohydrochlorin
Stars
DefinitionA metalloporphyrin that is sirohydrochlorin in which the four nitrogen atoms are bound to a central nickel atom.
Last Modified5 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC42H44N4NiO16
Net Charge0
Average Mass919.519
Monoisotopic Mass918.21057
SMILESC[C@@]1(CC(=O)O)C2=CC3=[N+]4C(=Cc5c(CC(=O)O)c(CCC(=O)O)c6[n]5[Ni-2]45[N]2C(=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
InChIInChI=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
InChIKeyCSCBRZIGJLRQGM-QIISWYHFSA-L
Roles Classification
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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-sirohydrochlorinChEBI
Manual XrefsDatabases
C21510KEGG COMPOUND
CPD-7564MetaCyc