CHEBI:15542 - thiophene-2-carbonyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thiophene-2-carbonyl-CoA
ChEBI ID CHEBI:15542
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of thiophene-2-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9562, CHEBI:15238, CHEBI:26972
Supplier Information
Download Molfile XML SDF
Formula C26H38N7O17P3S2
Net Charge 0
Average Mass 877.67018
Monoisotopic Mass 877.09785
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)/t14-,18-,19-,20+,24-/m1/s1
InChIKey APTYNAZODMUFPO-CITAKDKDSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cccs1
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
Thiophene-2-carbonyl-CoA KEGG COMPOUND
thiophene-2-carbonyl-coenzyme A ChEBI
Manual Xref Database
C07347 KEGG COMPOUND
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Last Modified
04 August 2014