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CHEBI:27513 - precorrin-6X
| Formula | C44H54N4O16 |
| Net Charge | 0 |
| Average Mass | 894.928 |
| Monoisotopic Mass | 894.35348 |
| SMILES | C[C@]1(CCC(=O)O)C2=NC(=C1CC(=O)O)[C@]1(C)N/C(=C\C3=NC(=C(CCC(=O)O)[C@]3(C)CC(=O)O)C[C@]3(C)N=C(C2)C(CCC(=O)O)=C3CC(=O)O)[C@@H](CCC(=O)O)[C@]1(C)CC(=O)O |
| InChI | InChI=1S/C44H54N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b27-17-/t23-,40-,41+,42+,43+,44+/m1/s1 |
| InChIKey | SOHWQLUTRKYCGZ-YTMGQXKNSA-N |
| 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) |
| precorrin-6X (CHEBI:27513) is a precorrin (CHEBI:26228) |
| precorrin-6X (CHEBI:27513) is conjugate acid of precorrin-6A(7−) (CHEBI:77872) |
| precorrin-6X (CHEBI:27513) is conjugate acid of precorrin-6X(8−) (CHEBI:58513) |
| Incoming Relation(s) |
| precorrin-6A(7−) (CHEBI:77872) is conjugate base of precorrin-6X (CHEBI:27513) |
| precorrin-6X(8−) (CHEBI:58513) is conjugate base of precorrin-6X (CHEBI:27513) |
| IUPAC Name |
|---|
| 3,3',3'',3'''-[(1R,2S,3S,7S,11S,17R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid |
| Synonyms | Source |
|---|---|
| Precorrin 6X | KEGG COMPOUND |
| Precorrin 6A | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C06320 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Beilstein:4901842 | Beilstein |