Search MNXref
 Feedback

3'-dephospho-CoA

MNXM481 is deprecated and here replaced by MNXM1104543
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104543 Image of MNXM1104543
referencechebi:57328
formulaC21H33N7O13P2S
global charge-2
mol weight685.546
InChIKeyKDTSHFARGAKYJN-IBOSZNHHSA-L
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
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O)[C@@H](O)C(=O)NCCC(=O)NCCS
MNX internals
InChI (mnx)InChI=1/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)/t11-,14-,15-,16+,20-/m1/s1 Image of MNXM1104543
SMILES (mnx)[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]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)14
in models (compartimentalized) 21
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-196778
reactomeM:R-ALL-196778
CHEBI:57328
chebi:57328
KDTSHFARGAKYJN-IBOSZNHHSA-L 		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
KDTSHFARGAKYJN-IBOSZNHHSA-L 		3'-Dephospho-CoA

metacyc.compound:DEPHOSPHO-COA
metacycM:DEPHOSPHO-COA
KDTSHFARGAKYJN-IBOSZNHHSA-L 		3'-dephospho-CoA
3-dephospho-CoA
dephosphocoenzyme A

CHEBI:15468
chebi:15468
KDTSHFARGAKYJN-IBOSZNHHSA-N 		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
KDTSHFARGAKYJN-IBOSZNHHSA-L
KDTSHFARGAKYJN-IBOSZNHHSA-N 		Dephospho-CoA
hmdb:HMDB0001373
KDTSHFARGAKYJN-IBOSZNHHSA-N 		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
KDTSHFARGAKYJN-IBOSZNHHSA-L 		Dephospho-CoA
3'-Dephospho-CoA
3'-dephospho-CoA
3-dephospho-CoA
Dephosphocoenzyme A
dephospho-CoA
dephosphocoenzyme A
dpcoa

kegg.compound:C00882
keggC:C00882
KDTSHFARGAKYJN-IBOSZNHHSA-N 		Dephospho-CoA
3'-Dephospho-CoA
Dephosphocoenzyme A

vmhM:dpcoa
vmhmetabolite:dpcoa
KDTSHFARGAKYJN-IBOSZNHHSA-L 		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

lipidmaps:LMFA07050315
lipidmapsM:LMFA07050315
KDTSHFARGAKYJN-IBOSZNHHSA-N 		Dephospho-CoA
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphinic acid

hmdb:HMDB01373
chebi:11793
chebi:14124
chebi:23642
chebi:41614
chebi:4436
biggM:M_dpcoa
keggC:M_C00882
seedM:M_cpd00655
vmhM:M_dpcoa 		secondary/obsolete/fantasy identifier