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CHEBI:139303 - 2-hydroxybutanoyl-CoA

ChEBI IDCHEBI:139303
ChEBI Name2-hydroxybutanoyl-CoA
Stars
DefinitionA hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxybutanoic acid.
Last Modified14 December 2017
SubmitterSteve
DownloadsMolfile
FormulaC25H42N7O18P3S
Net Charge0
Average Mass853.631
Monoisotopic Mass853.15199
SMILESCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
InChIInChI=1S/C25H42N7O18P3S/c1-4-13(33)24(38)54-8-7-27-15(34)5-6-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,17-,18-,19+,23-/m1/s1
InChIKeyAIYBLGFBHQLGMH-MIZDRFBCSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxybutanoyl-CoA (CHEBI:139303) has functional parent 2-hydroxybutyric acid (CHEBI:1148)
2-hydroxybutanoyl-CoA (CHEBI:139303) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxybutanoyl-CoA (CHEBI:139303) is a short-chain fatty acyl-CoA (CHEBI:61905)
2-hydroxybutanoyl-CoA (CHEBI:139303) is conjugate acid of 2-hydroxybutanoyl-CoA(4−) (CHEBI:138628)
Incoming Relation(s)
(R)-2-hydroxybutanoyl-CoA (CHEBI:87475) is a 2-hydroxybutanoyl-CoA (CHEBI:139303)
2-hydroxybutanoyl-CoA(4−) (CHEBI:138628) is conjugate base of 2-hydroxybutanoyl-CoA (CHEBI:139303)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-hydroxybutyryl-CoAChEBI
2-hydroxybutyryl-coenzyme AChEBI
2-hydroxybutanoyl-coenzyme AChEBI