CHEBI:28578 - 2-hydroxyglutaryl-CoA

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ChEBI Name 2-hydroxyglutaryl-CoA
ChEBI ID CHEBI:28578
Definition A hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyglutaric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1161, CHEBI:19639
Supplier Information
Download Molfile XML SDF
Formula C26H42N7O20P3S
Net Charge 0
Average Mass 897.63414
Monoisotopic Mass 897.14182
InChI InChI=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
InChIKey ITRSBJZNLOYNNR-RMNRSTNRSA-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)C(O)CCC(O)=O
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 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 (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 Sources
2-Hydroxyglutaryl-CoA KEGG COMPOUND
2-hydroxyglutaryl-coenzyme A ChEBI
Manual Xref Database
C03058 KEGG COMPOUND
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Citations Waiting for Citations Types Sources
1417419 PubMed citation Europe PMC
3691501 PubMed citation Europe PMC
Last Modified
16 January 2017