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pentanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1104372 #reac in my sandbox 0 in MNXref (generic) 24 in models (compartimentalized) 12 formula C26H40N7O17P3S charge -4 mass 847.617 reference chebi:57389 InChIKey RXUATCUKICAIOA-ZMHDXICWSA-J InChI InChI=1S/C26H44N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,19-,20-,21+,25-/m1/s1 SMILES [CH3:1][CH2:4][CH2:5][CH2:6][C:17](=[O:35])[S:54][CH2:10][CH2:9][N:28]=[C:16]([CH2:7][CH2:8][N:29]=[C:24]([C@@H:21]([C:26]([CH3:2])([CH3:3])[CH2:12][O:47][P:53]([OH:44])(=[O:45])[O:50][P:52]([OH:42])(=[O:43])[O:46][CH2:11][C@@H:15]1[C@@H:20]([O:49][P:51]([OH:39])([OH:40])=[O:41])[C@@H:19]([OH:36])[C@H:25]([n:33]2[cH:14][n:32][c:18]3[c:22]([NH2:27])[n:30][cH:13][n:31][c:23]32)[O:48]1)[OH:37])[OH:38])[OH:34]

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:57389 chebi:57389	pentanoyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentanoylsulfanyl)ethyl]amino}propyl)amino]butyl} diphosphate) S-valeryl-CoA(4-) S-valeryl-coenzyme A(4-) pentanoyl-CoA tetraanion pentanoyl-CoA(4-) pentanoyl-coenzyme A(4-) valeryl-CoA(4-) valeryl-coenzyme A(4-)
bigg.metabolite:M02694 biggM:M02694 bigg.metabolite:pentcoa biggM:pentcoa	Pentanoyl Coenzyme A
vmhM:M02694 vmhmetabolite:M02694	Pentanoyl Coenzyme A {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(pentanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]ox
sabiork.compound:5299 sabiorkM:5299	Pentanoyl-CoA
seed.compound:cpd00660 seedM:cpd00660	Pentanoyl-CoA C5:0-COA Valeryl-coenzyme A n-valeryl-CoA pentanoyl-CoA valeryl-CoA
kegg.compound:C00888 keggC:C00888	Pentanoyl-CoA Valeryl-coenzyme A
sabiork.compound:25269 sabiorkM:25269	n-Valeryl-CoA Valeryl-CoA
SLM:000389752 slm:000389752	pentanoyl-CoA
lipidmaps:LMFA07050362 lipidmapsM:LMFA07050362	pentanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) 5:0-CoA C5:0-CoA CoA 5:0 S-Valeryl-coenzym-A S-valeryl-CoA S-valeryl-coenzyme-A coenzyme A S-pentanoate pentanoyl-coenzyme A valeryl-CoA valeryl-coenzyme A
CHEBI:15536 chebi:15536	pentanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) 5:0-CoA C5:0-CoA Pentanoyl-CoA S-Valeryl-coenzym-A S-valeryl-CoA S-valeryl-coenzyme-A Valeryl-coenzyme A coenzyme A S-pentanoate pentanoyl-coenzyme A valeryl-CoA valeryl-coenzyme A
metacyc.compound:PENTANOYLCOA-CPD metacycM:PENTANOYLCOA-CPD	pentanoyl-CoA Valeryl-coenzyme A n-valeryl-CoA valeryl-CoA
chebi:14752 chebi:25893 chebi:7981 biggM:M_M02694 biggM:M_pentcoa keggC:M_C00888 seedM:M_cpd00660	secondary/obsolete/fantasy identifier