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oxalyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM618

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	8

formula

C₂₃H₃₁N₇O₁₉P₃S

charge

-5

mass

834.06357

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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
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
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:25738 chebi:49814 chebi:7817 biggM:M_oxalcoa keggC:M_C00313 seedM:M_cpd00262	secondary/obsolete/fantasy identifier