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(2E)-glutaconyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM981

	#reac
in my sandbox	0
in MNXref (generic)	23
in models (compartimentalized)	1

formula

C₂₆H₃₅N₇O₁₉P₃S

charge

-5

mass

874.579163

reference

chebi:57353

InChIKey

URTLOTISFJPPOU-DEGQQWIJSA-I

InChI

InChI=1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/b5-3+/t14-,19-,20-,21+,25-/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=C\CC([O-])=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57353 chebi:57353	(2E)-glutaconyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxylatobut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} trans-4-carboxybut-2-enoyl-CoA(5-)
SLM:000389606 slm:000389606	(3E)-pentadienoyl-CoA
metacyc.compound:GLUTACONYL-COA metacycM:GLUTACONYL-COA	(E)-glutaconyl-CoA (2E)-4-carboxybut-2-enoyl-CoA glutaconyl-1-CoA glutaconyl-coenzyme A pent-2-enoyl-CoA
seed.compound:cpd01599 seedM:cpd01599	Glutaconyl-1-CoA (2E)-4-Carboxybut-2-enoyl-CoA (2E)-4-carboxybut-2-enoyl-CoA (E)-Glutaconyl-CoA (E)-glutaconyl-CoA 4-Carboxybut-2-enoyl-CoA GLUTACONYL-COA Glutaconyl-CoA glutaconyl-1-CoA glutaconyl-coenzyme A pent-2-enoyl-CoA
kegg.compound:C02411 keggC:C02411	Glutaconyl-1-CoA (2E)-4-Carboxybut-2-enoyl-CoA (E)-Glutaconyl-CoA 4-Carboxybut-2-enoyl-CoA Glutaconyl-CoA
sabiork.compound:6193 sabiorkM:6193	Glutaconyl-1-CoA 4-Carboxybut-2-enoyl-CoA
envipath:...6de1ac2d5119 envipathM:...6de1ac2d5119	Glutaconyl-CoA
CHEBI:15497 chebi:15497	trans-4-carboxybut-2-enoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxybut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 4-Carboxybut-2-enoyl-CoA Glutaconyl-1-CoA
lipidmaps:LMFA07050389 lipidmapsM:LMFA07050389	trans-4-carboxybut-2-enoyl-CoA 4-carboxy-2E-butenoyl-CoA CoA(5:1)
chebi:11969 chebi:14320 chebi:24310 chebi:5430 keggC:M_C02411 seedM:M_cpd01599	secondary/obsolete/fantasy identifier