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thiophene-2-carbonyl-CoA

PropertiesImage
MNX_IDMNXM4846 Image of MNXM4846
referencechebi:57395
formulaC26H34N7O17P3S2
global charge-4
mol weight873.646
InChIKeyAPTYNAZODMUFPO-CITAKDKDSA-J
InChIInChI=1S/C26H38N7O17P3S2/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)15-4-3-8-54-15)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(35)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-14,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t14-,18-,19-,20+,24-/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)C1=CC=CS1
MNX internals
InChI (mnx)InChI=1/C26H38N7O17P3S2/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)15-4-3-8-54-15)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(35)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-14,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1 Image of MNXM4846
SMILES (mnx)[CH3:1][C:26]([CH3:2])([CH2:11][O:47][P:53]([OH:44])(=[O:45])[O:50][P:52]([OH:42])(=[O:43])[O:46][CH2:10][C@@H:14]1[C@@H:19]([O:49][P:51]([OH:39])([OH:40])=[O:41])[C@@H:18]([OH:35])[C@H:24]([N:33]2[CH:13]=[N:32][C:17]3=[C:21]([NH2:27])[N:30]=[CH:12][N:31]=[C:22]32)[O:48]1)[C@H:20]([C:23](=[N:29][CH2:6][CH2:5][C:16](=[N:28][CH2:7][CH2:9][S:55][C:25]([C:15]1=[CH:4][CH:3]=[CH:8][S:54]1)=[O:38])[OH:34])[OH:37])[OH:36]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57395
chebi:57395
APTYNAZODMUFPO-CITAKDKDSA-J 		thiophene-2-carbonyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(thiophene-2-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
thiophene-2-carbonyl-CoA tetraanion
thiophene-2-carbonyl-CoA(4-)
thiophene-2-carbonyl-coenzyme A(4-)

kegg.compound:C07347
keggC:C07347
APTYNAZODMUFPO-CITAKDKDSA-N 		Thiophene-2-carbonyl-CoA

seed.compound:cpd04550
seedM:cpd04550
APTYNAZODMUFPO-CITAKDKDSA-J 		Thiophene-2-carbonyl-CoA
[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-[2-(2-thienylcarbonylsulfanyl) ethylcarbamoyl]ethylcarbamoyl]propoxy]-phosphinoyl]oxy- phosphinoyl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid
thiophene-2-carbonyl-CoA

envipath:...f035ef9df09f
envipathM:...f035ef9df09f
APTYNAZODMUFPO-CITAKDKDSA-N 		Thiophene-2-carboxyl-CoA

CHEBI:15542
chebi:15542
APTYNAZODMUFPO-CITAKDKDSA-N 		thiophene-2-carbonyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(thiophene-2-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Thiophene-2-carbonyl-CoA
thiophene-2-carbonyl-coenzyme A

metacyc.compound:THIOPHENE-2-CARBONYL-COA
metacycM:THIOPHENE-2-CARBONYL-COA
APTYNAZODMUFPO-CITAKDKDSA-J 		thiophene-2-carbonyl-CoA
[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-[2-(2-thienylcarbonylsulfanyl) ethylcarbamoyl]ethylcarbamoyl]propoxy]-phosphinoyl]oxy- phosphinoyl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid

chebi:15238
chebi:26972
chebi:9562
keggC:M_C07347
seedM:M_cpd04550 		secondary/obsolete/fantasy identifier