adenosylcobinamide (CHEBI:2480)

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CHEBI:2480 - adenosylcobinamide

ChEBI ID	CHEBI:2480
ChEBI Name	adenosylcobinamide
Stars
Definition	A cobalt-corrinoid hexaamide comprising cobinamide having an adenosyl group attached to cobalt.
Last Modified	27 January 2016
Downloads	Molfile

Formula	C58H84CoN16O11
Net Charge	+1
Average Mass	1240.344
Monoisotopic Mass	1239.58319
SMILES	[H][C@@]12[C@H](CC(N)=O)[C@@](C)(CCC(=O)NC[C@@H](C)O)C3=C(C)C4=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]1(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co-2]57([CH2][C@H]1O[C@@H](n5cnc7c(N)ncnc75)[C@H](O)[C@@H]1O)[N]32)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]4CCC(N)=O
InChI	InChI=1S/C48H73N11O8.C10H12N5O3.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1
InChIKey	KQXSPGAEBZWHMC-QMUWONGRSA-M

Species of Metabolite	Component	Source	Comments
Escherichia coli (ncbitaxon:562)	-	PubMed (21988831)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Biological Roles:

Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

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)
	adenosylcobinamide (CHEBI:2480) has functional parent cobinamide (CHEBI:28956)
	adenosylcobinamide (CHEBI:2480) has role Escherichia coli metabolite (CHEBI:76971)
	adenosylcobinamide (CHEBI:2480) has role mouse metabolite (CHEBI:75771)
	adenosylcobinamide (CHEBI:2480) is a cobalt-corrinoid hexaamide (CHEBI:23390)

Synonyms	Source
5'-deoxy-5'-adenosylcobinamide	ChEBI
Adenosyl cobinamide	KEGG COMPOUND

UniProt Name	Source
adenosylcob(III)inamide	UniProt

Manual Xrefs	Databases
C06508	KEGG COMPOUND

Registry Numbers	Sources
Beilstein:9471192	Beilstein