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CHEBI:182976 - PtdIns-(1,2-dihexanoyl)

ChEBI IDCHEBI:182976
ChEBI NamePtdIns-(1,2-dihexanoyl)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H39O13P
Net Charge0
Average Mass530.504
Monoisotopic Mass530.21283
SMILESCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O)OC(=O)CCCCC
InChIInChI=1S/C21H39O13P/c1-3-5-7-9-14(22)31-11-13(33-15(23)10-8-6-4-2)12-32-35(29,30)34-21-19(27)17(25)16(24)18(26)20(21)28/h13,16-21,24-28H,3-12H2,1-2H3,(H,29,30)/t13-,16?,17-,18+,19+,20+,21?/m1/s1
InChIKeyBYCNULBOTLVAKR-SBNMDPEDSA-N
Species of MetaboliteComponentSourceComments
Cucumis melo (ncbitaxon:3656) seed (BTO:0001226) MetaboLights (MTBLS2993)
ChEBI Ontology
Outgoing Relation(s)
PtdIns-(1,2-dihexanoyl) (CHEBI:182976) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-hexanoyloxy-3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexanoate
Manual XrefsDatabases
166998ChemSpider