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CHEBI:15502 - 5-hydroxythiophene-2-carbonyl-CoA

ChEBI IDCHEBI:15502
ChEBI Name5-hydroxythiophene-2-carbonyl-CoA
Stars
DefinitionAn acyl-CoA that is the S-(5-hydroxythiophene-2-carbonyl) derivative of coenzyme A.
Secondary ChEBI IDsCHEBI:2130, CHEBI:12141, CHEBI:20594
Last Modified3 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H38N7O18P3S2
Net Charge0
Average Mass893.677
Monoisotopic Mass893.09276
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)c1ccc(O)s1
InChIInChI=1S/C26H38N7O18P3S2/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-55-25(39)14-3-4-16(35)56-14)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(36)24(49-13)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-13,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1
InChIKeyNVBINDTXSDBAEW-ITIYDSSPSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
5-hydroxythiophene-2-carbonyl-CoA (CHEBI:15502) has functional parent coenzyme A (CHEBI:15346)
5-hydroxythiophene-2-carbonyl-CoA (CHEBI:15502) is a acyl-CoA (CHEBI:17984)
5-hydroxythiophene-2-carbonyl-CoA (CHEBI:15502) is conjugate acid of 5-hydroxythiophene-2-carbonyl-CoA(5−) (CHEBI:57358)
Incoming Relation(s)
5-hydroxythiophene-2-carbonyl-CoA(5−) (CHEBI:57358) is conjugate base of 5-hydroxythiophene-2-carbonyl-CoA (CHEBI:15502)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxythiophene-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
5-Hydroxythiophene-2-carbonyl-CoAKEGG COMPOUND
S-(5-hydroxythiophene-2-carbonyl)-CoAChEBI
5-hydroxythiophene-2-carbonyl-coenzyme AChEBI
Manual XrefsDatabases
C07348KEGG COMPOUND