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CHEBI:15542 - thiophene-2-carbonyl-CoA

ChEBI IDCHEBI:15542
ChEBI Namethiophene-2-carbonyl-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of thiophene-2-carboxylic acid.
Secondary ChEBI IDsCHEBI:9562, CHEBI:15238, CHEBI:26972
Last Modified3 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H38N7O17P3S2
Net Charge0
Average Mass877.678
Monoisotopic Mass877.09784
SMILESCC(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
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)/t14-,18-,19-,20+,24-/m1/s1
InChIKeyAPTYNAZODMUFPO-CITAKDKDSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
thiophene-2-carbonyl-CoA (CHEBI:15542) has functional parent coenzyme A (CHEBI:15346)
thiophene-2-carbonyl-CoA (CHEBI:15542) has functional parent thiophene-2-carboxylic acid (CHEBI:71241)
thiophene-2-carbonyl-CoA (CHEBI:15542) is a acyl-CoA (CHEBI:17984)
thiophene-2-carbonyl-CoA (CHEBI:15542) is conjugate acid of thiophene-2-carbonyl-CoA(4−) (CHEBI:57395)
Incoming Relation(s)
thiophene-2-carbonyl-CoA(4−) (CHEBI:57395) is conjugate base of thiophene-2-carbonyl-CoA (CHEBI:15542)
IUPAC Name 
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}
Synonyms  Source
Thiophene-2-carbonyl-CoAKEGG COMPOUND
thiophene-2-carbonyl-coenzyme AChEBI
Manual XrefsDatabases
C07347KEGG COMPOUND