Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

oxalyl-CoA

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM618 Image of MNXM618 Image of MNXM618
#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 8
formulaC23H31N7O19P3S
charge-5
mass834.51
referencechebi:57388
InChIKeyQVXMZFTWJVBUHP-IBOSZNHHSA-I
InChIInChI=1S/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11,14-16,20,32-33H,3-8H2,1-2H3,(H,25,31)(H,26,34)(H,35,36)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/p-5/t11-,14-,15-,16+,20-/m1/s1
SMILES[CH3:1][C:23]([CH3:2])([CH2:8][O:46][P:52]([OH:43])(=[O:44])[O:49][P:51]([OH:41])(=[O:42])[O:45][CH2:7][C@@H:11]1[C@@H:15]([O:48][P:50]([OH:38])([OH:39])=[O:40])[C@@H:14]([OH:32])[C@H:20]([n:30]2[cH:10][n:29][c:13]3[c:17]([NH2:24])[n:27][cH:9][n:28][c:18]32)[O:47]1)[C@H:16]([C:19](=[N:26][CH2:4][CH2:3][C:12](=[N:25][CH2:5][CH2:6][S:53][C:22]([C:21]([OH:35])=[O:36])=[O:37])[OH:31])[OH:34])[OH:33]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:57388
chebi:57388 		oxalyl-CoA
oxalyl-CoA pentaanion
oxalyl-CoA(5-)
oxalyl-coenzyme A(5-)
bigg.metabolite:oxalcoa
biggM:oxalcoa
sabiork.compound:2014
sabiorkM:2014
kegg.compound:C00313
keggC:C00313 		Oxalyl-CoA
seed.compound:cpd00262
seedM:cpd00262 		Oxalyl-CoA
CoA-oxalate
oxalcoa
oxalyl-CoA
vmhM:oxcoa
vmhM:oxcoa
vmhmetabolite:oxcoa
vmhmetabolite:oxcoa 		oxalyl-CoA
hmdb:HMDB0304445 oxalyl-CoA
2-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino}-1-oxidopropylidene)amino]ethyl}sulfanyl)-2-oxoacetic acid
2-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino}-1-oxidopropylidene)amino]ethyl}sulphanyl)-2-oxoacetate
2-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino}-1-oxidopropylidene)amino]ethyl}sulphanyl)-2-oxoacetic acid
2-({2-[3-(4-{[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}-2-hydroxy-3,3-dimethylbutanamido)propanamido]ethyl}sulfanyl)-2-oxoacetate
2-{[2-(3-{4-[({[5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxyphosphinato)oxy]-2-hydroxy-3,3-dimethylbutanamido}propanamido)ethyl]sulfanyl}-2-oxoacetate
lipidmaps:LMFA07050357
lipidmapsM:LMFA07050357 		oxalyl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(oxalylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
CoA 2:1
O2
CHEBI:15535
chebi:15535 		oxalyl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(oxalylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
OXALYL-COENZYME A
Oxalyl-CoA
metacyc.compound:OXALYL-COA
metacycM:OXALYL-COA 		oxalyl-CoA
CoA-oxalate
chebi:14707
chebi:233756
chebi:25738
chebi:49814
chebi:7817
biggM:M_oxalcoa
keggC:M_C00313
seedM:M_cpd00262 		secondary/obsolete/fantasy identifier