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3'-dephospho-CoA

Properties Image Occurences in reactions MNX_ID MNXM1364759 #reac in my sandbox 0 in MNXref (generic) 15 in models (compartimentalized) 21 formula C21H33N7O13P2S charge -2 mass 685.537 reference chebi:57328 InChIKey KDTSHFARGAKYJN-IBOSZNHHSA-L 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 SMILES [CH3:1][C:21]([CH3:2])([CH2:8][O:39][P:43]([OH:36])(=[O:37])[O:41][P:42]([OH:34])(=[O:35])[O:38][CH2:7][C@@H:11]1[C@@H:14]([OH:30])[C@@H:15]([OH:31])[C@H:20]([n:28]2[cH:10][n:27][c:13]3[c:17]([NH2:22])[n:25][cH:9][n:26][c:18]32)[O:40]1)[C@H:16]([C:19](=[N:24][CH2:4][CH2:3][C:12](=[N:23][CH2:5][CH2:6][SH:44])[OH:29])[OH:33])[OH:32]

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:57328 chebi:57328	3'-dephospho-CoA 3'-dephospho-CoA(2-) adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] diphosphate}
sabiork.compound:27337 sabiorkM:27337	3'-Dephospho-CoA
metacyc.compound:DEPHOSPHO-COA metacycM:DEPHOSPHO-COA	3'-dephospho-CoA 3-dephospho-CoA dephosphocoenzyme A
reactome:R-ALL-196778 reactomeM:R-ALL-196778 CHEBI:15468 chebi:15468	3'-dephospho-CoA Dephospho-CoA Dephosphocoenzyme A adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} dephospho coenzyme A
bigg.metabolite:dpcoa biggM:dpcoa sabiork.compound:1400 sabiorkM:1400	Dephospho-CoA
hmdb:HMDB0001373	Dephospho-CoA 2'-(5''-Triphosphoribosyl)-3'-dephospho-CoA 3'-Dephospho-CoA 3'-Dephospho-coenzyme A 3'-Dephosphocoenzyme A 3'-Desphospho-coenzyme A 3'-O-Dephosphonocoenzyme A 3'-dephospho-coa Dephospho CoA Dephospho-coenzyme A Dephosphocoenzyme A Desphospho-CoA DpCoA [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphinic acid
seed.compound:cpd00655 seedM:cpd00655	Dephospho-CoA 3'-Dephospho-CoA 3'-dephospho-CoA 3-dephospho-CoA Dephosphocoenzyme A dephospho-CoA dephosphocoenzyme A dpcoa
kegg.compound:C00882 keggC:C00882	Dephospho-CoA 3'-Dephospho-CoA Dephosphocoenzyme A
vmhM:dpcoa vmhmetabolite:dpcoa	Dephospho-CoA [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)pr
hmdb:HMDB01373 chebi:11793 chebi:14124 chebi:23642 chebi:41614 chebi:4436 biggM:M_dpcoa keggC:M_C00882 seedM:M_cpd00655	secondary/obsolete/fantasy identifier