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CHEBI:169357 - LPIM1(18:2(9Z,12Z)/0:0)

ChEBI IDCHEBI:169357
ChEBI NameLPIM1(18:2(9Z,12Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H59O17P
Net Charge0
Average Mass758.792
Monoisotopic Mass758.34899
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1C(O)C(O)[C@@H](O)C(O)[C@H]1O[C@H]1OC(CO)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C33H59O17P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(36)46-19-21(35)20-47-51(44,45)50-32-29(42)27(40)26(39)28(41)31(32)49-33-30(43)25(38)24(37)22(18-34)48-33/h6-7,9-10,21-22,24-35,37-43H,2-5,8,11-20H2,1H3,(H,44,45)/b7-6-,10-9-/t21-,22?,24-,25?,26-,27?,28?,29?,30-,31-,32-,33-/m1/s1
InChIKeyPIBNAUWISYGQJI-JOLMBGRLSA-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)
LPIM1(18:2(9Z,12Z)/0:0) (CHEBI:169357) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(1R,4R,6R)-2,3,4,5-tetrahydroxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyphosphoryl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
LMGP15040005LIPID MAPS