EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:87433 - (R)-2-hydroxy-4-methylpentanoyl-CoA

ChEBI IDCHEBI:87433
ChEBI Name(R)-2-hydroxy-4-methylpentanoyl-CoA
Stars
ASCII Name(R)-2-hydroxy-4-methylpentanoyl-CoA
DefinitionA hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-2-hydroxy-4-methylpentanoic acid.
Last Modified10 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC27H46N7O18P3S
Net Charge0
Average Mass881.685
Monoisotopic Mass881.18329
SMILESCC(C)C[C@@H](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/C27H46N7O18P3S/c1-14(2)9-15(35)26(40)56-8-7-29-17(36)5-6-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-16,19-21,25,35,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16-,19-,20-,21+,25-/m1/s1
InChIKeyCFNPCSNXESBNGR-LYALRYAQSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(R)-2-hydroxy-4-methylpentanoyl-CoA (CHEBI:87433) has functional parent (R)-2-hydroxy-4-methylpentanoic acid (CHEBI:55534)
(R)-2-hydroxy-4-methylpentanoyl-CoA (CHEBI:87433) is a hydroxy fatty acyl-CoA (CHEBI:61902)
(R)-2-hydroxy-4-methylpentanoyl-CoA (CHEBI:87433) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
(R)-2-hydroxy-4-methylpentanoyl-CoA (CHEBI:87433) is a short-chain fatty acyl-CoA (CHEBI:61905)
(R)-2-hydroxy-4-methylpentanoyl-CoA (CHEBI:87433) is conjugate acid of (R)-2-hydroxy-4-methylpentanoyl-CoA(4−) (CHEBI:87119)
Incoming Relation(s)
(R)-2-hydroxy-4-methylpentanoyl-CoA(4−) (CHEBI:87119) is conjugate base of (R)-2-hydroxy-4-methylpentanoyl-CoA (CHEBI:87433)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2R)-2-hydroxy-2-methylpentanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(R)-2-hydroxy-4-methylpentanoyl-coenzyme AChEBI
(2R)-2-hydroxy-4-methylpentanoyl-CoAChEBI
(2R)-2-hydroxy-4-methylpentanoyl-coenzyme AChEBI
Manual XrefsDatabases
CPD-11652MetaCyc