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

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ChEBI Name 5-oxo-furan-2-acetyl-CoA
ChEBI ID CHEBI:49304
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C27H42N7O19P3S
Net Charge 0
Average Mass 893.64544
Monoisotopic Mass 893.14690
InChI InChI=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
InChIKey NTLIHRNVJLBCQK-FOLKQPSDSA-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)CC1CCC(=O)O1
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-oxo-furan-2-acetyl-CoA (CHEBI:49304) has functional parent adipoyl-CoA (CHEBI:34528)
5-oxo-furan-2-acetyl-CoA (CHEBI:49304) is a γ-lactone (CHEBI:37581)
5-oxo-furan-2-acetyl-CoA (CHEBI:49304) is a acyl-CoA (CHEBI:17984)
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 Sources
3-hydroxyadipoyl-CoA lactone ChEBI
5-oxo-furan-2-acetyl-coenzyme A ChEBI
5-oxo-furan-2-ethanoyl-CoA ChEBI
5-oxo-furan-2-ethanoyl-coenzyme A ChEBI
β-hydroxyadipyl-CoA lactone ChEBI
Last Modified
22 July 2011