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glutaryl-CoA

MNXM382 is deprecated and here replaced by MNXM1104451
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104451 Image of MNXM1104451
referencechebi:57378
formulaC26H37N7O19P3S
global charge-5
mol weight876.601
InChIKeySYKWLIJQEHRDNH-CKRMAKSASA-I
InChIInChI=1S/C26H42N7O19P3S/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/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(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/t14-,19-,20-,21+,25-/m1/s1
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C26H42N7O19P3S/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/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21+,25-/m1/s1 Image of MNXM1104451
SMILES (mnx)[CH3:1][C:26]([CH3:2])([CH2:11][O:49][P:55]([OH:46])(=[O:47])[O:52][P:54]([OH:44])(=[O:45])[O:48][CH2:10][C@@H:14]1[C@@H:20]([O:51][P:53]([OH:41])([OH:42])=[O:43])[C@@H:19]([OH:38])[C@H:25]([N:33]2[CH:13]=[N:32][C:18]3=[C:22]([NH2:27])[N:30]=[CH:12][N:31]=[C:23]32)[O:50]1)[C@H:21]([C:24](=[N:29][CH2:7][CH2:6][C:15](=[N:28][CH2:8][CH2:9][S:56][C:17]([CH2:5][CH2:3][CH2:4][C:16](=[O:35])[OH:36])=[O:37])[OH:34])[OH:40])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)47
in models (compartimentalized) 24
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-70955
reactomeM:R-ALL-70955
CHEBI:57378
chebi:57378
SYKWLIJQEHRDNH-CKRMAKSASA-I 		glutaryl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxylatobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
4-carboxylatobutanoyl-CoA(5-)
glutaryl-CoA pentaanion
glutaryl-CoA(5-)
glutaryl-coenzyme A(5-)

envipath:...a1fbf3c65cb1
envipathM:...a1fbf3c65cb1
sabiork.compound:2075
sabiorkM:2075
kegg.compound:C00527
keggC:C00527
SLM:000389476
slm:000389476
SYKWLIJQEHRDNH-CKRMAKSASA-I
SYKWLIJQEHRDNH-CKRMAKSASA-M
SYKWLIJQEHRDNH-CKRMAKSASA-N 		Glutaryl-CoA

bigg.metabolite:glutcoa
biggM:glutcoa
SYKWLIJQEHRDNH-CKRMAKSASA-I 		Glutaryl-CoA mitochondria

lipidmaps:LMFA07050324
lipidmapsM:LMFA07050324
SYKWLIJQEHRDNH-CKRMAKSASA-N 		Glutaryl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
4-carboxybutanoyl-CoA
4-carboxybutanoyl-coenzyme A
CoA 5:1
O2
coenzyme A, S-(hydrogen pentanedioate)
glutaryl-coenzyme A
hmdb:HMDB0001339
SYKWLIJQEHRDNH-CKRMAKSASA-N 		Glutaryl-CoA
4-Carboxybutanoyl-CoA
4-Carboxybutanoyl-coenzyme A
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]-5-oxopentanoic acid
Glutaryl coenzyme A
Glutaryl-coenzyme A
coenzyme A, S-(Hydrogen pentanedioate)
coenzyme A, S-(Hydrogen pentanedioic acid)
glutaryl-coa

seed.compound:cpd00413
seedM:cpd00413
SYKWLIJQEHRDNH-CKRMAKSASA-I 		Glutaryl-CoA
4-carboxybutanoyl-CoA
glutaryl-CoA
glutaryl-coenzyme A
glutcoa

vmhM:glutcoa
vmhmetabolite:glutcoa
SYKWLIJQEHRDNH-CKRMAKSASA-I 		glutaryl-CoA(5-)
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-meth

CHEBI:15524
chebi:15524
SYKWLIJQEHRDNH-CKRMAKSASA-N 		glutaryl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
4-carboxybutanoyl-CoA
4-carboxybutanoyl-coenzyme A
Glutaryl-CoA
coenzyme A, S-(hydrogen pentanedioate)
glutaryl-coenzyme A

metacyc.compound:GLUTARYL-COA
metacycM:GLUTARYL-COA
SYKWLIJQEHRDNH-CKRMAKSASA-I 		glutaryl-CoA
4-carboxybutanoyl-CoA
glutaryl-coenzyme A

hmdb:HMDB01339
chebi:14326
chebi:24332
chebi:5436
biggM:M_glutcoa
keggC:M_C00527
seedM:M_cpd00413
vmhM:M_glutcoa 		secondary/obsolete/fantasy identifier