CHEBI:136841 - nickel-sirohydrochlorin(8−)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name nickel-sirohydrochlorin(8−) ChEBI ID CHEBI:136841 ChEBI ASCII Name nickel-sirohydrochlorin(8-) Definition A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of nickel-sirohydrochlorin; 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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C42H36N4NiO16 Net Charge -8 Average Mass 911.447 Monoisotopic Mass 910.15236 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-10/t23-,24-,41+,42+;/m1./s1 InChIKey CSCBRZIGJLRQGM-QIISWYHFSA-D 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 ChEBI Ontology Outgoing nickel-sirohydrochlorin(8−) (CHEBI:136841) is a cyclic tetrapyrrole anion (CHEBI:58941) nickel-sirohydrochlorin(8−) (CHEBI:136841) is conjugate base of nickel-sirohydrochlorin (CHEBI:137678) Incoming nickel-sirohydrochlorin (CHEBI:137678) is conjugate acid of nickel-sirohydrochlorin(8−) (CHEBI:136841) 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]tetra[propanoato()10−]}nickelate(8−) Synonym Source Ni-sirohydrochlorin UniProt Manual Xref Database CPD-7564 MetaCyc View more database links Last Modified 05 July 2017