CHEBI:57328 - 3'-dephospho-CoA(2−)

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ChEBI Name 3'-dephospho-CoA(2−)
ChEBI ID CHEBI:57328
ChEBI ASCII Name 3'-dephospho-CoA(2-)
Definition Dianion of 3'-dephospho-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H33N7O13P2S
Net Charge -2
Average Mass 685.53800
Monoisotopic Mass 685.133
InChI InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/p-2/t11-,14-,15-,16+,20-/m1/s1
InChIKey KDTSHFARGAKYJN-IBOSZNHHSA-L
SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3'-dephospho-CoA(2−) (CHEBI:57328) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3'-dephospho-CoA(2−) (CHEBI:57328) has role human metabolite (CHEBI:77746)
3'-dephospho-CoA(2−) (CHEBI:57328) is a organophosphate oxoanion (CHEBI:58945)
3'-dephospho-CoA(2−) (CHEBI:57328) is conjugate base of 3'-dephospho-CoA (CHEBI:15468)
Incoming 3'-dephospho-CoA (CHEBI:15468) is conjugate acid of 3'-dephospho-CoA(2−) (CHEBI:57328)
IUPAC Name
adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] diphosphate}
Synonym Source
3'-dephospho-CoA UniProt
Last Modified
08 February 2017