CHEBI:48573 - adenosylpseudocoenzyme B12

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ChEBI Name adenosylpseudocoenzyme B12
ChEBI ID CHEBI:48573
ChEBI ASCII Name adenosylpseudocoenzyme B12
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C68H95CoN21O17P
Net Charge 0
Average Mass 1568.51940
Monoisotopic Mass 1567.62844
InChI 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-;/m11./s1
InChIKey FPJHYSJJUNINIK-CVGPNTAPSA-L
SMILES [C@@H]1(n2c3c(c(N)ncn3)nc2)O[C@H](C[Co-3]2345N6[C@H]7[C@@]8([N+]2=C([C@H]([C@]8(C)CC(N)=O)CCC(N)=O)C(=C2[N+]3=C([C@H]([C@]2(C)CC(N)=O)CCC(N)=O)C=C2[N+]4=C([C@H](C2(C)C)CCC(N)=O)C(=C6[C@](C)(CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]2[C@@H](CO)O[C@H](n3c4c(N)ncnc4[n+]5c3)[C@@H]2O)[C@H]7CC(N)=O)C)C)C)[C@@H](O)[C@H]1O
Roles Classification
Biological Role(s): 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).
(via corrinoid )
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ChEBI Ontology
Outgoing adenosylpseudocoenzyme B12 (CHEBI:48573) is a pseudocoenzyme B12 (CHEBI:48572)
Synonyms Sources
(Ade)Ado-Cba CBN
adenosylpseudocoenzyme B12 UniProt
Coα-[α-(aden-9-yl)]-Coβ-adenosylcobamide CBN
Registry Number Type Source
9382442 Beilstein Registry Number Beilstein
Last Modified
22 May 2014