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

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ChEBI Name 5-hydroxythiophene-2-carbonyl-CoA
ChEBI ID CHEBI:15502
Definition An acyl-CoA that is the S-(5-hydroxythiophene-2-carbonyl) derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12141, CHEBI:2130, CHEBI:20594
Supplier Information
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Formula C26H38N7O18P3S2
Net Charge 0
Average Mass 893.66958
Monoisotopic Mass 893.09276
InChI InChI=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
InChIKey NVBINDTXSDBAEW-ITIYDSSPSA-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)c1ccc(O)s1
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 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 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 Sources
5-Hydroxythiophene-2-carbonyl-CoA KEGG COMPOUND
5-hydroxythiophene-2-carbonyl-coenzyme A ChEBI
S-(5-hydroxythiophene-2-carbonyl)-CoA ChEBI
Manual Xref Database
C07348 KEGG COMPOUND
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Last Modified
04 August 2014