CHEBI:15852 - aquacob(III)alamin

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ChEBI Name aquacob(III)alamin
ChEBI ID CHEBI:15852
ChEBI ASCII Name aquacob(III)alamin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:13851, CHEBI:22589, CHEBI:2794
Supplier Information
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Formula C62H90CoN13O15P
Net Charge +1
Average Mass 1347.36310
Monoisotopic Mass 1346.57434
InChI InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
InChIKey YOZNUFWCRFCGIH-WZHZPDAFSA-L
SMILES [H][O+]([H])[Co-3]1234N5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@@]5([H])[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]3O)n3c[n+]4c4cc(C)c(C)cc34)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aquacob(III)alamin (CHEBI:15852) has role human metabolite (CHEBI:77746)
aquacob(III)alamin (CHEBI:15852) is a alkylcob(III)alamin (CHEBI:140785)
aquacob(III)alamin (CHEBI:15852) is a cob(III)alamins (CHEBI:23333)
aquacob(III)alamin (CHEBI:15852) is conjugate acid of hydroxocobalamin (CHEBI:27786)
Incoming hydroxocobalamin (CHEBI:27786) is conjugate base of aquacob(III)alamin (CHEBI:15852)
IUPAC Name
Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-aquacobamide
Synonyms Sources
Aquacob(III)alamin KEGG COMPOUND
aquacob(III)alamin UniProt
Aquacobalamin KEGG COMPOUND
aquacobalamin CBN
vitamin B-12a CBN
Manual Xref Database
C00992 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
13422-52-1 CAS Registry Number KEGG COMPOUND
13422-52-1 CAS Registry Number ChemIDplus
Last Modified
23 October 2015