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CHEBI:57328 - 3'-dephospho-CoA(2−)

ChEBI IDCHEBI:57328
ChEBI Name3'-dephospho-CoA(2−)
Stars
ASCII Name3'-dephospho-CoA(2-)
DefinitionDianion of 3'-dephospho-CoA.
Last Modified8 June 2021
DownloadsMolfile
FormulaC21H33N7O13P2S
Net Charge-2
Average Mass685.546
Monoisotopic Mass685.13433
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(=O)NCCC(=O)NCCS
InChIInChI=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
InChIKeyKDTSHFARGAKYJN-IBOSZNHHSA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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}
UniProt Name  Source
3'-dephospho-CoAUniProt
Manual XrefsDatabases
DEPHOSPHO-COAMetaCyc