adenosylcobinamide-GDP
Chemical Formula:
C68H95N21O21P2CO
Molecular Weight:
1663.504 Daltons
Monoisotopic Mass:
1664.597512507 Daltons
SMILES:
CC(OP([O-])(=O)OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))CNC(=O)CCC%11(C)(C(CC(=O)N)C%13(C%14(C)(C(C)(CC(N)=O)C(CCC(N)=O)C7(=[N+]([Co--]8%12(CC6(C(O)C(C(N5(C=NC4(C(N)=NC=NC=45)))O6)O))([N+]%10(C(=CC9(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)7)[N+]8=9))C(C)(C)C(CCC(N)=O)C=%10C(C)=C%11N%12%13)))%14))))
InChI:
1S/C58H86N16O18P2.C10H12N5O3.Co/c1-25(91-94(87,88)92-93(85,86)89-23-33-45(82)46(83)52(90-33)74-24-67-44-50(74)71-53(65)72-51(44)84)22-66-41(81)16-17-55(6)31(18-38(62)78)49-58(9)57(8,21-40(64)80)30(12-15-37(61)77)43(73-58)27(3)48-56(7,20-39(63)79)28(10-13-35(59)75)32(68-48)19-34-54(4,5)29(11-14-36(60)76)42(69-34)26(2)47(55)70-49;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,24-25,28-31,33,45-46,49,52,82-83H,10-18,20-23H2,1-9H3,(H19,59,60,61,62,63,64,65,66,68,69,70,71,72,73,75,76,77,78,79,80,81,84,85,86,87,88);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-3/t25-,28-,29-,30-,31+,33-,45-,46-,49-,52-,55-,56+,57+,58+;4-,6-,7-,10-;/m11./s1
InChIKey:
Synonyms
- Adenosine-GDP-cobinamide
Databases
MetaCyc:
ADENOSYLCOBINAMIDE-GDP
BiGG:
agdpcbi
HMDB:
HMDB12185
ChEBI:
60487
KEGG:
C06510
Seed:
cpd03920
MetaNetX:
MNXM1105