oxalyl-CoA

Properties MNX_ID MNXM618 formula C23H31N7O19P3S charge -5 mass 834.515303 reference chebi:57388

InChIKey	QVXMZFTWJVBUHP-IBOSZNHHSA-I
InChI	InChI=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	CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C([O-])=O

Occurences in reactions

	#reac
Distinct reactions in my sandbox	0
Distinct generic reactions in MNXref	8
Distinct compatimentalized reactions in models	5

Similar chemical compounds in external resources

Identifier	Description
biggM:oxalcoa keggC:C00313 sabiorkM:2014	Oxalyl-CoA
seedM:cpd00262	Oxalyl-CoA CoA-oxalate oxalcoa oxalyl-CoA
chebi:57388	oxalyl-CoA oxalyl-CoA pentaanion oxalyl-CoA(5-) oxalyl-coenzyme A(5-)
lipidmaps: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)
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
metacycM:OXALYL-COA	oxalyl-CoA CoA-oxalate
biggM:M_oxalcoa chebi:14707 chebi:25738 chebi:49814 chebi:7817 keggC:M_C00313 seedM:M_cpd00262	secondary/obsolete/fantasy identifier
MNXM90859	is deprecated and replaced by this entry