CHEBI:78628 - 2-hydroxyglutaryl-CoA(5−)

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ChEBI Name 2-hydroxyglutaryl-CoA(5−)
ChEBI ID CHEBI:78628
ChEBI ASCII Name 2-hydroxyglutaryl-CoA(5-)
Definition An acyl-CoA oxoanion that results from the removal of all five protons from the phosphate and carboxylic acid groups of 2-hydroxyglutaryl-CoA. Major structure at pH 7.3 (Marvin 6.2.0)
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C26H37N7O20P3S
Net Charge -5
Average Mass 892.59600
Monoisotopic Mass 892.10544
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)/p-5/t13?,14-,18-,19-,20+,24-/m1/s1
InChIKey ITRSBJZNLOYNNR-RMNRSTNRSA-I
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
ChEBI Ontology
Outgoing 2-hydroxyglutaryl-CoA(5−) (CHEBI:78628) is a acyl-CoA oxoanion (CHEBI:58946)
2-hydroxyglutaryl-CoA(5−) (CHEBI:78628) is conjugate base of 2-hydroxyglutaryl-CoA (CHEBI:28578)
Incoming (R)-2-hydroxyglutaryl-CoA(5−) (CHEBI:132946) is a 2-hydroxyglutaryl-CoA(5−) (CHEBI:78628)
2-hydroxyglutaryl-CoA (CHEBI:28578) is conjugate acid of 2-hydroxyglutaryl-CoA(5−) (CHEBI:78628)
Synonym Source
2-hydroxyglutaryl-CoA UniProt
Last Modified
15 August 2014