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CHEBI:168950 - 2-Stearyl citrate

Default Structure
ChEBI IDCHEBI:168950
ChEBI Name2-Stearyl citrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H44O7
Net Charge0
Average Mass444.609
Monoisotopic Mass444.30870
SMILESCCCCCCCCCCCCCCCCCCOC(=O)C(O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-23(29)24(30,19-21(25)26)20-22(27)28/h30H,2-20H2,1H3,(H,25,26)(H,27,28)
InChIKeyQILIJDWPBISFBO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-Stearyl citrate (CHEBI:168950) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3-hydroxy-3-octadecoxycarbonylpentanedioic acid
Manual XrefsDatabases
30777336ChemSpider
HMDB0039225HMDB
Registry NumbersSources
CAS:138195-28-5ChemIDplus