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

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ChEBI Name 2-hydroxybutanoyl-CoA(4−)
ChEBI ID CHEBI:138628
ChEBI ASCII Name 2-hydroxybutanoyl-CoA(4-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C25H38N7O18P3S
Net Charge -4
Average Mass 849.594
Monoisotopic Mass 849.12288
InChI InChI=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
InChIKey AIYBLGFBHQLGMH-MIZDRFBCSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(CC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 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 2-hydroxybutanoyl-CoA (CHEBI:139303) is conjugate acid of 2-hydroxybutanoyl-CoA(4−) (CHEBI:138628)
Synonyms Sources
2-hydroxybutanoyl-CoA UniProt
2-hydroxybutyryl-CoA(4−) ChEBI
Last Modified
14 December 2017