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CHEBI:60488 - cob(I)alamin(1−)

ChEBI IDCHEBI:60488
ChEBI Namecob(I)alamin(1−)
Stars
ASCII Namecob(I)alamin(1-)
DefinitionMonoanion of cob(I)alamin arising from deprotonation of the phosphate OH group; major species at pH 7.3.
Last Modified26 July 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC62H88CoN13O14P
Net Charge-1
Average Mass1329.370
Monoisotopic Mass1328.56487
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-4]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;+1/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1
InChIKeyOMAOKVYASDIYQG-DSRCUDDDSA-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)
cob(I)alamin(1−) (CHEBI:60488) has role cofactor (CHEBI:23357)
cob(I)alamin(1−) (CHEBI:60488) is a organophosphate oxoanion (CHEBI:58945)
cob(I)alamin(1−) (CHEBI:60488) is conjugate base of cob(I)alamin (CHEBI:15982)
Incoming Relation(s)
cob(I)alamin (CHEBI:15982) is conjugate acid of cob(I)alamin(1−) (CHEBI:60488)
UniProt Name  Source
cob(I)alaminUniProt