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CHEBI:48573 - adenosylpseudocoenzyme B12

ChEBI IDCHEBI:48573
ChEBI Nameadenosylpseudocoenzyme B12
Stars
ASCII Nameadenosylpseudocoenzyme B12
Last Modified22 May 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC68H95CoN21O17P
Net Charge0
Average Mass1568.545
Monoisotopic Mass1567.62844
SMILES[H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5ncnc(N)c54)[Co-3]456([CH2][C@H]7O[C@@H](n8cnc9c(N)ncnc98)[C@H](O)[C@@H]7O)[N]1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O
InChIInChI=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-;/m11./s1
InChIKeyFPJHYSJJUNINIK-CVGPNTAPSA-L
Roles Classification
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
adenosylpseudocoenzyme B12 (CHEBI:48573) is a pseudocoenzyme B12 (CHEBI:48572)
Synonyms  Source
Coα-[α-(aden-9-yl)]-Coβ-adenosylcobamideIUBMB
(Ade)Ado-CbaIUBMB
UniProt Name  Source
adenosylpseudocoenzyme B12UniProt
Registry NumbersSources
Beilstein:9382442Beilstein