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CHEBI:132116 - 2-hydroxyisobutanoyl-CoA

ChEBI IDCHEBI:132116
ChEBI Name2-hydroxyisobutanoyl-CoA
Stars
DefinitionA hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyisobutanoic acid.
Last Modified2 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC25H42N7O18P3S
Net Charge0
Average Mass853.631
Monoisotopic Mass853.15199
SMILESCC(C)(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/c1-24(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
InChIKeyFFVUICCDNWZCRC-ZSJPKINUSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-hydroxyisobutanoyl-coenzyme AChEBI
2-hydroxyisobutyryl-coenzyme AChEBI
2-hydroxyisobutyryl-CoAChEBI
Manual XrefsDatabases
CPD-19040MetaCyc
Registry NumbersSources
Reaxys:22539664Reaxys
Citations