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CHEBI:15452 - (R)-3-hydroxybutanoyl-CoA

ChEBI IDCHEBI:15452
ChEBI Name(R)-3-hydroxybutanoyl-CoA
Stars
ASCII Name(R)-3-hydroxybutanoyl-CoA
DefinitionThe (R)-enantiomer of 3-hydroxybutanoyl-CoA.
Secondary ChEBI IDsCHEBI:323, CHEBI:10879, CHEBI:10984, CHEBI:18667
Last Modified27 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H42N7O18P3S
Net Charge0
Average Mass853.631
Monoisotopic Mass853.15199
SMILESC[C@@H](O)CC(=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/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14-,18-,19-,20+,24-/m1/s1
InChIKeyQHHKKMYHDBRONY-WZZMXTMRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Roles:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(R)-3-hydroxybutanoyl-CoA (CHEBI:15452) has functional parent (R)-3-hydroxybutyric acid (CHEBI:17066)
(R)-3-hydroxybutanoyl-CoA (CHEBI:15452) has role mouse metabolite (CHEBI:75771)
(R)-3-hydroxybutanoyl-CoA (CHEBI:15452) is a 3-hydroxybutanoyl-CoA (CHEBI:37050)
(R)-3-hydroxybutanoyl-CoA (CHEBI:15452) is conjugate acid of (R)-3-hydroxybutanoyl-CoA(4−) (CHEBI:57315)
Incoming Relation(s)
(R)-3-hydroxybutanoyl-CoA(4−) (CHEBI:57315) is conjugate base of (R)-3-hydroxybutanoyl-CoA (CHEBI:15452)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(3R)-3-Hydroxybutanoyl-CoAKEGG COMPOUND
(R)-3-Hydroxybutanoyl-CoAKEGG COMPOUND
Manual XrefsDatabases
C03561KEGG COMPOUND