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CHEBI:57358 - 5-hydroxythiophene-2-carbonyl-CoA(5−)

ChEBI IDCHEBI:57358
ChEBI Name5-hydroxythiophene-2-carbonyl-CoA(5−)
Stars
ASCII Name5-hydroxythiophene-2-carbonyl-CoA(5-)
DefinitionPentaanion of 5-hydroxythiophene-2-carbonyl-CoA arising from deprotonation of phosphate and diphosphate functions as well as the hydroxythiophene moiety.
Last Modified24 November 2014
DownloadsMolfile
FormulaC26H33N7O18P3S2
Net Charge-5
Average Mass888.637
Monoisotopic Mass888.05638
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)/p-5/t13-,18-,19-,20+,24-/m1/s1
InChIKeyNVBINDTXSDBAEW-ITIYDSSPSA-I
ChEBI Ontology
Outgoing Relation(s)
5-hydroxythiophene-2-carbonyl-CoA(5−) (CHEBI:57358) is a acyl-CoA oxoanion (CHEBI:58946)
5-hydroxythiophene-2-carbonyl-CoA(5−) (CHEBI:57358) is conjugate base of 5-hydroxythiophene-2-carbonyl-CoA (CHEBI:15502)
Incoming Relation(s)
5-hydroxythiophene-2-carbonyl-CoA (CHEBI:15502) is conjugate acid of 5-hydroxythiophene-2-carbonyl-CoA(5−) (CHEBI:57358)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-oxidothiophene-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
UniProt Name  Source
5-hydroxythiophene-2-carbonyl-CoAUniProt