EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138628 - 2-hydroxybutanoyl-CoA(4−)

ChEBI IDCHEBI:138628
ChEBI Name2-hydroxybutanoyl-CoA(4−)
Stars
ASCII Name2-hydroxybutanoyl-CoA(4-)
DefinitionA short chain fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxybutanoyl-CoA; major species at pH 7.3.
Last Modified14 December 2017
Submitterlaimo
DownloadsMolfile
FormulaC25H38N7O18P3S
Net Charge-4
Average Mass849.599
Monoisotopic Mass849.12288
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)/p-4/t13?,14-,17-,18-,19+,23-/m1/s1
InChIKeyAIYBLGFBHQLGMH-MIZDRFBCSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxybutanoyl-CoA(4−) (CHEBI:138628) is a short chain fatty acyl-CoA(4−) (CHEBI:137040)
2-hydroxybutanoyl-CoA(4−) (CHEBI:138628) is conjugate base of 2-hydroxybutanoyl-CoA (CHEBI:139303)
Incoming Relation(s)
2-hydroxybutanoyl-CoA (CHEBI:139303) is conjugate acid of 2-hydroxybutanoyl-CoA(4−) (CHEBI:138628)
Synonym  Source
2-hydroxybutyryl-CoA(4−)ChEBI
UniProt Name  Source
2-hydroxybutanoyl-CoAUniProt