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3-methyl-(2E)-glutaconyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1137668Image of MNXM1137668
#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 9
formulaC27H37N7O19P3S
charge-5
mass888.11052
referencechebi:57346
InChIKeyZMMFWDHIXCPOHZ-XRYKKJIBSA-I
InChIInChI=1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h8,12-13,15,20-22,26,39-40H,4-7,9-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/b14-8+/t15-,20-,21-,22+,26-/m1/s1
SMILESC/C(=C\C(=O)[O-])CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:57346
chebi:57346 		3-methyl-(2E)-glutaconyl-CoA
(E)-3-methylglutaconyl-1-CoA(5-)
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxylato-3-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
trans-3-methylglutaconyl-CoA(5-)
trans-3-methylglutaconyl-coenzyme A(5-)
bigg.metabolite:3mgcoa
biggM:3mgcoa 		3-Methylglutaconyl-CoA
hmdb:HMDB0001057 3-Methylglutaconyl-CoA
(2E)-5-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-3-methyl-5-oxopent-2-enoic acid
(E)-3-Methylglutaconyl-1-coenzyme A
(e)-3-Methylglutaconyl-1-CoA
3-Methylglutaconyl CoA
3-Methylglutaconyl-coenzyme A
beta-Methylglutaconyl-CoA
beta-Methylglutaconyl-coenzyme A
trans-3-Methylglutaconyl-CoA
trans-3-Methylglutaconyl-coenzyme A
trans-3-methylglutaconyl-coa
lipidmaps:LMFA07050235
lipidmapsM:LMFA07050235 		3-Methylglutaconyl-CoA
(3E)-5-{[2-(3-{3-[({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-3-methyl-5-oxopent-3-enoic acid
CoA 6:2
O2
seed.compound:cpd02068
seedM:cpd02068 		3-Methylglutaconyl-CoA
(E)-3-Methylglutaconyl-1-CoA
(E)-3-methylglutaconyl-1-CoA
3-methylglutaconyl-CoA
3mgcoa
trans-3-Methylglutaconyl-CoA
trans-3-methylglutaconyl-CoA
kegg.compound:C03231
keggC:C03231 		3-Methylglutaconyl-CoA
(E)-3-Methylglutaconyl-1-CoA
trans-3-Methylglutaconyl-CoA
sabiork.compound:2711
sabiorkM:2711 		trans-3-Methylglutaconyl-CoA
3-Methylglutaconyl-CoA
reactome:R-ALL-70772
reactomeM:R-ALL-70772
CHEBI:15488
chebi:15488 		trans-3-methylglutaconyl-CoA
(E)-3-methylglutaconyl-1-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxy-3-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-Methylglutaconyl-CoA
3-methylglutaconyl CoA
S-3-methylglutaconyl-coenzyme A
trans-3-Methylglutaconyl-CoA
trans-3-methylglutaconyl-coenzyme A
lipidmaps:LMFA07050388
lipidmapsM:LMFA07050388 		trans-3-methylglutaconyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3E)-4-carboxy-3-methylbut-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
CoA 6:2
O2
hmdb:HMDB01057
chebi:11860
chebi:12863
chebi:1603
chebi:20132
biggM:M_3mgcoa
keggC:M_C03231
seedM:M_cpd02068 		secondary/obsolete/fantasy identifier