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CHEBI:134246 - (R)-2-hydroxyglutaryl-CoA

ChEBI IDCHEBI:134246
ChEBI Name(R)-2-hydroxyglutaryl-CoA
Stars
ASCII Name(R)-2-hydroxyglutaryl-CoA
DefinitionA hydroxyglutaryl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-2-hydroxyglutaric acid.
Last Modified16 January 2017
SubmitterSteve
DownloadsMolfile
FormulaC26H42N7O20P3S
Net Charge0
Average Mass897.640
Monoisotopic Mass897.14182
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@H](O)CCC(=O)O
InChIInChI=1S/C26H42N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,34,38-39H,3-10H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,14-,18-,19-,20+,24-/m1/s1
InChIKeyITRSBJZNLOYNNR-WZZMXTMRSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(R)-2-hydroxyglutaryl-CoA (CHEBI:134246) has role bacterial xenobiotic metabolite (CHEBI:76976)
(R)-2-hydroxyglutaryl-CoA (CHEBI:134246) is a 2-hydroxyglutaryl-CoA (CHEBI:28578)
(R)-2-hydroxyglutaryl-CoA (CHEBI:134246) is conjugate acid of (R)-2-hydroxyglutaryl-CoA(5−) (CHEBI:132946)
Incoming Relation(s)
(R)-2-hydroxyglutaryl-CoA(5−) (CHEBI:132946) is conjugate base of (R)-2-hydroxyglutaryl-CoA (CHEBI:134246)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-{[(2R)-4-carboxy-2-hydroxybutanoyl]sulfanyl}ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(R)-2-hydroxyglutaryl-coenzyme AChEBI
2-Hydroxyglutaryl-1-coenzyme AChemIDplus
Manual XrefsDatabases
2-HYDROXYGLUTARYL-COAMetaCyc
Registry NumbersSources
Reaxys:21247358Reaxys
CAS:111769-66-5ChemIDplus
Citations