| Compound-ID | 8681 |
| Common Name | Adenosyl cobyrinate hexaamide |
| Synonyms |
Adenosylcobyric acid
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| InChI |
InChI=1S/C45H66N10O8.C10H12N5O3.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1
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| SMILES |
CC=1C=9C(CCC(N)=O)C(C)(C)C8=CC=6C(CCC(N)=O)C(C)(CC(N)=O)C7=C(C)C=10C(CCC(N)=O)C(C)(CC(N)=O)C11(C)(C2C(CC(N)=O)C(C)(CCC(O)=O)C=1N2[Co+](CC3OC(C(O)C3(O))n5cnc4c(N)ncnc45)(N=67)(N8=9)N=1011)
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| External Links | |
| KEGG-COMPOUND-ID |
C06507
|
| PUBCHEM-ID | 8738 |
| ChEBI-ID |
2483
|
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View all entries for compound: Adenosyl cobyrinate hexaamide |