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CHEBI:16304 - cob(II)alamin

ChEBI IDCHEBI:16304
ChEBI Namecob(II)alamin
Stars
DefinitionA cobalamin in which the central cobalt atom has an oxidation state of +2.
Secondary ChEBI IDsCHEBI:3786, CHEBI:14005, CHEBI:23330
Last Modified25 July 2019
DownloadsMolfile
FormulaC62H88CoN13O14P
Net Charge0
Average Mass1329.370
Monoisotopic Mass1328.56433
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+](c5cc(C)c(C)cc54)[Co-3]456[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/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;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1
InChIKeyASARMUCNOOHMLO-DSRCUDDDSA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
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).
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).
prosthetic group  A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
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.
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).
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.
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).
Applications:
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.
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.
ChEBI Ontology
Outgoing Relation(s)
cob(II)alamin (CHEBI:16304) has role cofactor (CHEBI:23357)
cob(II)alamin (CHEBI:16304) has role human metabolite (CHEBI:77746)
cob(II)alamin (CHEBI:16304) is a cobalamin (CHEBI:30411)
IUPAC Name 
cob(II)alamin
Synonyms  Source
Cob(II)alaminKEGG COMPOUND
Vitamin B12rKEGG COMPOUND
vitamin B-12rIUBMB
UniProt Name  Source
cob(II)alaminUniProt
Manual XrefsDatabases
C00541KEGG COMPOUND
C00541KEGG COMPOUND
Registry NumbersSources
Gmelin:1243558Gmelin
CAS:14463-33-3KEGG COMPOUND
CAS:14463-33-3ChemIDplus