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CHEBI:49303 - 2-hydroxyadipoyl-CoA

ChEBI IDCHEBI:49303
ChEBI Name2-hydroxyadipoyl-CoA
Stars
DefinitionA hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 2-hydroxyadipic acid.
Last Modified22 July 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44N7O20P3S
Net Charge0
Average Mass911.667
Monoisotopic Mass911.15747
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)C(O)CCCC(=O)O
InChIInChI=1S/C27H44N7O20P3S/c1-27(2,21(40)24(41)30-7-6-16(36)29-8-9-58-26(42)14(35)4-3-5-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-20(53-55(43,44)45)19(39)25(52-15)34-13-33-18-22(28)31-12-32-23(18)34/h12-15,19-21,25,35,39-40H,3-11H2,1-2H3,(H,29,36)(H,30,41)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14?,15-,19-,20-,21+,25-/m1/s1
InChIKeyDZNDBGBQXVQBCM-XMWLYHNJSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyadipoyl-CoA (CHEBI:49303) has functional parent adipoyl-CoA (CHEBI:34528)
2-hydroxyadipoyl-CoA (CHEBI:49303) is a hydroxyacyl-CoA (CHEBI:62618)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-2-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
β-hydroxyadipoyl-CoAChEBI
Citations