CHEBI:136887 - nickel-sirohydrochlorin a,c-diamide(6−)

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ChEBI Name nickel-sirohydrochlorin a,c-diamide(6−)
ChEBI ID CHEBI:136887
ChEBI ASCII Name nickel-sirohydrochlorin a,c-diamide(6-)
Definition A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of nickel-sirohydrochlorin a,c-diamide; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C42H40N6NiO14
Net Charge -6
Average Mass 911.494
Monoisotopic Mass 910.196
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-8/t23-,24-,41+,42+;/m1./s1
InChIKey RIGHEWUFSUWNMM-QIISWYHFSA-F
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
ChEBI Ontology
Outgoing nickel-sirohydrochlorin a,c-diamide(6−) (CHEBI:136887) is a cyclic tetrapyrrole anion (CHEBI:58941)
nickel-sirohydrochlorin a,c-diamide(6−) (CHEBI:136887) is a hexacarboxylic acid anion (CHEBI:59360)
nickel-sirohydrochlorin a,c-diamide(6−) (CHEBI:136887) is conjugate base of nickel-sirohydrochlorin a,c-diamide (CHEBI:137696)
Incoming nickel-sirohydrochlorin a,c-diamide (CHEBI:137696) is conjugate acid of nickel-sirohydrochlorin a,c-diamide(6−) (CHEBI:136887)
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)(8−)}nickelate(6−)
Synonym Source
Ni-sirohydrochlorin a,c-diamide UniProt
Manual Xref Database
CPD-7590 MetaCyc
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Citation Waiting for Citations Type Source
27846569 PubMed citation SUBMITTER
Last Modified
07 July 2017