CHEBI:132116 - 2-hydroxyisobutanoyl-CoA

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ChEBI Name 2-hydroxyisobutanoyl-CoA
ChEBI ID CHEBI:132116
Definition A hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyisobutanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H42N7O18P3S
Net Charge 0
Average Mass 853.625
Monoisotopic Mass 853.15199
InChI InChI=1S/C25H42N7O18P3S/c1-24(2,18(35)21(36)28-6-5-14(33)27-7-8-54-23(37)25(3,4)38)10-47-53(44,45)50-52(42,43)46-9-13-17(49-51(39,40)41)16(34)22(48-13)32-12-31-15-19(26)29-11-30-20(15)32/h11-13,16-18,22,34-35,38H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,16-,17-,18+,22-/m1/s1
InChIKey FFVUICCDNWZCRC-ZSJPKINUSA-N
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C(C)(C)O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(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-hydroxyisobutanoyl-CoA (CHEBI:132116) is a hydroxyacyl-CoA (CHEBI:62618)
2-hydroxyisobutanoyl-CoA (CHEBI:132116) is conjugate acid of 2-hydroxyisobutanoyl-CoA(4−) (CHEBI:131780)
Incoming 2-hydroxyisobutanoyl-CoA(4−) (CHEBI:131780) is conjugate base of 2-hydroxyisobutanoyl-CoA (CHEBI:132116)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2-hydroxyisobutanoyl-coenzyme A ChEBI
2-hydroxyisobutyryl-CoA ChEBI
2-hydroxyisobutyryl-coenzyme A ChEBI
Manual Xref Database
CPD-19040 MetaCyc
View more database links
Registry Number Type Source
22539664 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22433853 PubMed citation Europe PMC
25720495 PubMed citation Europe PMC
25911482 PubMed citation Europe PMC
Last Modified
02 June 2016