CHEBI:71364 - 2-oxoglutaryl-CoA

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ChEBI Name 2-oxoglutaryl-CoA
ChEBI ID CHEBI:71364
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 2-oxoglutaric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H40N7O20P3S
Net Charge 0
Average Mass 895.61700
Monoisotopic Mass 895.12617
InChI InChI=1S/C26H40N7O20P3S/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/h11-12,14,18-20,24,38-39H,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)/t14-,18-,19-,20?,24-/m1/s1
InChIKey QYHKIXYHXCJHTR-XBTRWLRFSA-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(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-oxoglutaryl-CoA (CHEBI:71364) has functional parent 2-oxoglutaric acid (CHEBI:30915)
2-oxoglutaryl-CoA (CHEBI:71364) is a acyl-CoA (CHEBI:17984)
2-oxoglutaryl-CoA (CHEBI:71364) is conjugate acid of 2-oxoglutaryl-CoA(5−) (CHEBI:71349)
Incoming 2-oxoglutaryl-CoA(5−) (CHEBI:71349) is conjugate base of 2-oxoglutaryl-CoA (CHEBI:71364)
IUPAC Name
5'-O-[{[(4-{[3-({2-[(4-carboxy-2-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
Synonym Source
4-carboxy-2-oxobutanoyl-CoA ChEBI
Manual Xref Database
CPD-14112 MetaCyc
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Last Modified
07 December 2012