CHEBI:15982 - cob(I)alamin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cob(I)alamin
ChEBI ID CHEBI:15982
ChEBI ASCII Name cob(I)alamin
Definition A cobalamin in which the central cobalt atom has an oxidation state of +1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3784, CHEBI:14004, CHEBI:23328
Supplier Information
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Formula C62H89CoN13O14P
Net Charge 0
Average Mass 1330.35570
Monoisotopic Mass 1329.57215
InChI InChI=1S/C62H90N13O14P.Co/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);/q;+1/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1
InChIKey OMAOKVYASDIYQG-DSRCUDDDSA-M
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](CO)O[C@@H]([C@@H]4O)n4c[n+](c5cc(C)c(C)cc45)[Co-4]456N1C3=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
Metabolite of Species Details
Escherichia coli (NCBI:txid562) See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
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 cobalamin )
(via corrinoid )
prosthetic group
A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
(via cobalamin )
water-soluble vitamin (role)
Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
(via B vitamin )
Application(s): nutraceutical
A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
(via B vitamin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cob(I)alamin (CHEBI:15982) has role Escherichia coli metabolite (CHEBI:76971)
cob(I)alamin (CHEBI:15982) has role cofactor (CHEBI:23357)
cob(I)alamin (CHEBI:15982) has role human metabolite (CHEBI:77746)
cob(I)alamin (CHEBI:15982) is a cobalamin (CHEBI:30411)
cob(I)alamin (CHEBI:15982) is conjugate acid of cob(I)alamin(1−) (CHEBI:60488)
Incoming cob(I)alamin(1−) (CHEBI:60488) is conjugate base of cob(I)alamin (CHEBI:15982)
IUPAC Name
cob(I)alamin
Synonyms Sources
Cob(I)alamin KEGG COMPOUND
vitamin B-12s CBN
Vitamin B12s KEGG COMPOUND
Manual Xrefs Databases
C00853 KEGG COMPOUND
MOL000034 COMe
View more database links
Registry Numbers Types Sources
18534-66-2 CAS Registry Number KEGG COMPOUND
887721 Gmelin Registry Number Gmelin
Last Modified
26 July 2019