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CHEBI:137696 - nickel-sirohydrochlorin a,c-diamide
| Formula | C42H46N6NiO14 |
| Net Charge | 0 |
| Average Mass | 917.551 |
| Monoisotopic Mass | 916.24254 |
| SMILES | C[C@@]1(CC(N)=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(N)=O)[C@@H]3CCC(=O)O |
| 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 |
| 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 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 Relation(s) |
| 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 |
| Citations |
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