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

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ChEBI Name thiophene-2-carbonyl-CoA(4−)
ChEBI ID CHEBI:57395
ChEBI ASCII Name thiophene-2-carbonyl-CoA(4-)
Definition An acyl-CoA(4−) that is the tetraanion of thiophene-2-carbonyl-CoA, arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H34N7O17P3S2
Net Charge -4
Average Mass 873.63600
Monoisotopic Mass 873.06874
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)/p-4/t14-,18-,19-,20+,24-/m1/s1
InChIKey APTYNAZODMUFPO-CITAKDKDSA-J
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
ChEBI Ontology
Outgoing 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 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 Sources
thiophene-2-carbonyl-CoA UniProt
thiophene-2-carbonyl-CoA tetraanion ChEBI
thiophene-2-carbonyl-coenzyme A(4−) ChEBI
Manual Xref Database
THIOPHENE-2-CARBONYL-COA MetaCyc
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Last Modified
31 January 2022