| Compound-ID | 8612 |
| Common Name | Hydrogenobyrinate |
| Synonyms |
Hydrogenobyrinic acid
|
| InChI |
InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,49H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
|
| SMILES |
CC=1C5=NC(=CC4=NC(=C(C)C3=NC(C)(C2NC=1C(C)(CCC(O)=O)C2(CC(O)=O))C(C)(CC(O)=O)C3(CCC(O)=O))C(C)(CC(O)=O)C4(CCC(O)=O))C(C)(C)C5(CCC(O)=O)
|
| External Links | |
| KEGG-COMPOUND-ID |
C06399
|
| PUBCHEM-ID | 8635 |
| ChEBI-ID |
17926
|
| METANETX-ID | MNXM819828 |
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View all entries for compound: Hydrogenobyrinate |