Coα-[α-(adenin-7-yl)]-Coβ-adenosylcobamide
![<i>Co</i>α-[α-(adenin-7-yl)]-<i>Co</i>β-adenosylcobamide](/media/image_cpd/svg/CPD-17189.svg)
Chemical Formula:
C68H95N21O17PCO
Molecular Weight:
1568.533 Daltons
Monoisotopic Mass:
1568.6362674765003 Daltons
SMILES:
CC4(OP([O-])(=O)OC1(C(O)C(OC(CO)1)N3(C2(C(N)=NC=NC=2[N+](=C3)[Co---]89%11([N+]6(=C5(C(C)=C%12(C(CC(=O)N)(C(CCC(N)=O)C(C=C%10(C(C)(C)C(CCC(N)=O)C(C(C)=C7(C(CCC(NC4)=O)(C(CC(N)=O)C(C(C)(C(C)(CC(N)=O)C(CCC(=O)N)5)6)N78)C))=[N+]9%10))=[N+]%11%12)C))))(CC%13(C(C(O)C(O%13)N%14(C=NC%15(C%14=NC=NC=%15N)))O))))))
InChI:
1S/C58H85N16O14P.C10H12N5O3.Co/c1-26(87-89(84,85)88-47-34(23-75)86-53(46(47)83)74-25-69-52-45(74)51(65)67-24-68-52)22-66-42(82)16-17-55(6)32(18-39(62)79)50-58(9)57(8,21-41(64)81)31(12-15-38(61)78)44(73-58)28(3)49-56(7,20-40(63)80)29(10-13-36(59)76)33(70-49)19-35-54(4,5)30(11-14-37(60)77)43(71-35)27(2)48(55)72-50;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,24-26,29-32,34,46-47,50,53,75,83H,10-18,20-23H2,1-9H3,(H17,59,60,61,62,63,64,65,66,67,68,70,71,72,73,76,77,78,79,80,81,82,84,85);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t26-,29+,30+,31+,32-,34+,46+,47+,50+,53-,55-,56-,57-,58-;4-,6-,7-,10-;/m01./s1
InChIKey:
Synonyms
- pseudoAdoCba
- pseudo-adenosyl cobamide
- pseudocoenzyme B12
Databases
MetaCyc:
CPD-17189
ChEBI:
48573
MetaNetX:
MNXM160653