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CHEBI:169430 - PKODiA-PI

ChEBI IDCHEBI:169430
ChEBI NamePKODiA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H57O16P
Net Charge0
Average Mass740.777
Monoisotopic Mass740.33842
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C33H57O16P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26(37)46-21-24(48-27(38)18-15-16-23(34)19-20-25(35)36)22-47-50(44,45)49-33-31(42)29(40)28(39)30(41)32(33)43/h19-20,24,28-33,39-43H,2-18,21-22H2,1H3,(H,35,36)(H,44,45)/b20-19+/t24-,28?,29-,30?,31?,32?,33?/m1/s1
InChIKeyGXYNPAFQVDFTDK-CCBHMEMRSA-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)
PKODiA-PI (CHEBI:169430) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
(E)-8-[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl]oxy-4,8-dioxooct-2-enoic acid
Manual XrefsDatabases
LMGP20050008LIPID MAPS