Adenosylcobinamide-gdp

Structural Information

Molecular Formula

C₅₈H₈₆N₁₆O₁₈P₂

SMILES

C/C/1=C/2\[C@@]([C@@H](C(=CC3=NC(=C(C4=N[C@H]([C@@H]([C@@]4(C)CCC(=O)NC[C@@H](C)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)O)O)CC(=O)N)[C@]8([C@@]([C@@H](C1=N8)CCC(=O)N)(C)CC(=O)N)C)C)[C@H](C3(C)C)CCC(=O)N)N2)CCC(=O)N)(C)CC(=O)N

InChI

InChI=1S/C58H86N16O18P2/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/h19,24-25,28-31,33,45-46,49,52,68,82-83H,10-18,20-23H2,1-9H3,(H2,59,75)(H2,60,76)(H2,61,77)(H2,62,78)(H2,63,79)(H2,64,80)(H,66,81)(H,85,86)(H,87,88)(H3,65,71,72,84)/b32-19?,42-26?,48-27-/t25-,28-,29-,30-,31+,33-,45-,46-,49-,52-,55-,56+,57+,58+/m1/s1

InChIKey

GNOBOPFFWKCJQZ-KMWQEKPXSA-N

Compound name

[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R)-1-[3-[(1R,2R,3R,7S,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate

Related CIDs

• CID 135398566
• CID 135922733