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CHEBI:49304 - 5-oxo-furan-2-acetyl-CoA

ChEBI IDCHEBI:49304
ChEBI Name5-oxo-furan-2-acetyl-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 5-oxo-furan-2-acetic acid.
Last Modified22 July 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H42N7O19P3S
Net Charge0
Average Mass893.652
Monoisotopic Mass893.14690
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)CC1CCC(=O)O1
InChIInChI=1S/C27H42N7O19P3S/c1-27(2,22(39)25(40)30-6-5-16(35)29-7-8-57-18(37)9-14-3-4-17(36)50-14)11-49-56(46,47)53-55(44,45)48-10-15-21(52-54(41,42)43)20(38)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,38-39H,3-11H2,1-2H3,(H,29,35)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t14?,15-,20-,21-,22+,26-/m1/s1
InChIKeyNTLIHRNVJLBCQK-FOLKQPSDSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
5-oxo-furan-2-acetyl-CoA (CHEBI:49304) has functional parent adipoyl-CoA (CHEBI:34528)
5-oxo-furan-2-acetyl-CoA (CHEBI:49304) is a acyl-CoA (CHEBI:17984)
5-oxo-furan-2-acetyl-CoA (CHEBI:49304) is a γ-lactone (CHEBI:37581)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(5-oxooxolan-2-yl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
Synonyms  Source
β-hydroxyadipyl-CoA lactoneChEBI
3-hydroxyadipoyl-CoA lactoneChEBI
5-oxo-furan-2-ethanoyl-coenzyme AChEBI
5-oxo-furan-2-ethanoyl-CoAChEBI
5-oxo-furan-2-acetyl-coenzyme AChEBI