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CHEBI:57395 - thiophene-2-carbonyl-CoA(4−)

ChEBI IDCHEBI:57395
ChEBI Namethiophene-2-carbonyl-CoA(4−)
Stars
ASCII Namethiophene-2-carbonyl-CoA(4-)
DefinitionAn acyl-CoA(4−) that is the tetraanion of thiophene-2-carbonyl-CoA, arising from deprotonation of phosphate and diphosphate functions.
Last Modified31 January 2022
DownloadsMolfile
FormulaC26H34N7O17P3S2
Net Charge-4
Average Mass873.646
Monoisotopic Mass873.06874
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)/p-4/t14-,18-,19-,20+,24-/m1/s1
InChIKeyAPTYNAZODMUFPO-CITAKDKDSA-J
ChEBI Ontology
Outgoing Relation(s)
thiophene-2-carbonyl-CoA(4−) (CHEBI:57395) is a acyl-CoA(4−) (CHEBI:58342)
thiophene-2-carbonyl-CoA(4−) (CHEBI:57395) is conjugate base of thiophene-2-carbonyl-CoA (CHEBI:15542)
Incoming Relation(s)
thiophene-2-carbonyl-CoA (CHEBI:15542) is conjugate acid of thiophene-2-carbonyl-CoA(4−) (CHEBI:57395)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(thiophene-2-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
Synonyms  Source
thiophene-2-carbonyl-CoA tetraanionChEBI
thiophene-2-carbonyl-coenzyme A(4−)ChEBI
UniProt Name  Source
thiophene-2-carbonyl-CoAUniProt
Manual XrefsDatabases
THIOPHENE-2-CARBONYL-COAMetaCyc