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glutaryl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104451

	#reac
in my sandbox	0
in MNXref (generic)	41
in models (compartimentalized)	23

formula

C₂₆H₃₇N₇O₁₉P₃S

charge

-5

mass

876.11052

reference

chebi:57378

InChIKey

SYKWLIJQEHRDNH-CKRMAKSASA-I

InChI

InChI=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

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)CCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57378 chebi:57378	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-)
sabiork.compound:2075 sabiorkM:2075 envipath:...a1fbf3c65cb1 envipathM:...a1fbf3c65cb1 kegg.compound:C00527 keggC:C00527 SLM:000389476 slm:000389476	Glutaryl-CoA
bigg.metabolite:glutcoa biggM:glutcoa	Glutaryl-CoA mitochondria
lipidmaps:LMFA07050324 lipidmapsM:LMFA07050324	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
seed.compound:cpd00413 seedM:cpd00413	Glutaryl-CoA 4-carboxybutanoyl-CoA glutaryl-CoA glutaryl-coenzyme A glutcoa
reactome:R-ALL-70955 reactomeM:R-ALL-70955 CHEBI:15524 chebi:15524	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	glutaryl-CoA 4-carboxybutanoyl-CoA glutaryl-coenzyme A
chebi:14326 chebi:24332 chebi:5436 biggM:M_glutcoa keggC:M_C00527 seedM:M_cpd00413	secondary/obsolete/fantasy identifier