Feedback

thiophene-2-carbonyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM4846

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₆H₃₄N₇O₁₇P₃S₂

charge

-4

mass

873.06874

reference

chebi:57395

InChIKey

APTYNAZODMUFPO-CITAKDKDSA-J

InChI

InChI=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

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)c1cccs1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57395 chebi:57395	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	Thiophene-2-carbonyl-CoA
seed.compound:cpd04550 seedM:cpd04550	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	Thiophene-2-carboxyl-CoA
CHEBI:15542 chebi:15542	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	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