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CHEBI:90407 - O-(3-hydroxyvaleryl)-L-carnitine

ChEBI IDCHEBI:90407
ChEBI NameO-(3-hydroxyvaleryl)-L-carnitine
Stars
ASCII NameO-(3-hydroxyvaleryl)-L-carnitine
DefinitionAn O-acyl-L-carnitine in which the acyl group is specified as 3-hydroxyvaleryl.
Last Modified14 February 2017
Submittermwilliams
DownloadsMolfile
FormulaC12H23NO5
Net Charge0
Average Mass261.318
Monoisotopic Mass261.15762
SMILESCCC(O)CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C12H23NO5/c1-5-9(14)6-12(17)18-10(7-11(15)16)8-13(2,3)4/h9-10,14H,5-8H2,1-4H3/t9?,10-/m1/s1
InChIKeySHDVOJJCEZGPBX-QVDQXJPCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS173)
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS192)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
O-(3-hydroxyvaleryl)-L-carnitine (CHEBI:90407) has functional parent 3-hydroxypentanoic acid (CHEBI:139272)
O-(3-hydroxyvaleryl)-L-carnitine (CHEBI:90407) has role human metabolite (CHEBI:77746)
O-(3-hydroxyvaleryl)-L-carnitine (CHEBI:90407) is a hydroxy-fatty acyl-L-carnitine (CHEBI:133449)
IUPAC Name 
(3R)-3-[(3-hydroxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms  Source
HydroxyvalerylcarnitineHMDB
O-(3-hydroxypentanoyl)-L-carnitineChEBI
3-hydroxypentanoylcarnitineChEBI
3-hydroxyvalerylcarnitineChEBI
Manual XrefsDatabases
HMDB0013132HMDB
Registry NumbersSources
Reaxys:28797945Reaxys