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

ChEBI IDCHEBI:78628
ChEBI Name2-hydroxyglutaryl-CoA(5−)
Stars
ASCII Name2-hydroxyglutaryl-CoA(5-)
DefinitionAn 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)
Last Modified15 August 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC26H37N7O20P3S
Net Charge-5
Average Mass892.600
Monoisotopic Mass892.10544
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)/p-5/t13?,14-,18-,19-,20+,24-/m1/s1
InChIKeyITRSBJZNLOYNNR-RMNRSTNRSA-I
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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)
UniProt Name  Source
2-hydroxyglutaryl-CoAUniProt