EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28578 - 2-hydroxyglutaryl-CoA

ChEBI IDCHEBI:28578
ChEBI Name2-hydroxyglutaryl-CoA
Stars
DefinitionA hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyglutaric acid.
Secondary ChEBI IDsCHEBI:1161, CHEBI:19639
Last Modified16 January 2017
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(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-RMNRSTNRSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyglutaryl-CoA (CHEBI:28578) has functional parent 2-hydroxyglutaric acid (CHEBI:17084)
2-hydroxyglutaryl-CoA (CHEBI:28578) has functional parent glutaryl-CoA (CHEBI:15524)
2-hydroxyglutaryl-CoA (CHEBI:28578) is a hydroxyacyl-CoA (CHEBI:62618)
2-hydroxyglutaryl-CoA (CHEBI:28578) is conjugate acid of 2-hydroxyglutaryl-CoA(5−) (CHEBI:78628)
Incoming Relation(s)
(R)-2-hydroxyglutaryl-CoA (CHEBI:134246) is a 2-hydroxyglutaryl-CoA (CHEBI:28578)
2-hydroxyglutaryl-CoA(5−) (CHEBI:78628) is conjugate base of 2-hydroxyglutaryl-CoA (CHEBI:28578)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxy-2-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-Hydroxyglutaryl-CoAKEGG COMPOUND
2-hydroxyglutaryl-coenzyme AChEBI
Manual XrefsDatabases
C03058KEGG COMPOUND
Citations