EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186503 - LPIM2(19:1(9Z)/0:0)

ChEBI IDCHEBI:186503
ChEBI NameLPIM2(19:1(9Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H73O22P
Net Charge0
Average Mass936.976
Monoisotopic Mass936.43311
SMILESCCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O[C@@H]2OC(CO)[C@H](O)C(O)[C@@H]2O)C(O)C(O)C(O)[C@H]1O[C@H]1OC(CO)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C40H73O22P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(44)56-21-23(43)22-57-63(54,55)62-38-36(60-39-34(52)29(47)27(45)24(19-41)58-39)32(50)31(49)33(51)37(38)61-40-35(53)30(48)28(46)25(20-42)59-40/h10-11,23-25,27-43,45-53H,2-9,12-22H2,1H3,(H,54,55)/b11-10-/t23-,24?,25?,27-,28+,29?,30?,31?,32?,33?,34-,35+,36-,37?,38?,39-,40+/m1/s1
InChIKeyULDVDQWQTMRKLI-VFXWJIRJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
LPIM2(19:1(9Z)/0:0) (CHEBI:186503) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(6R)-3,4,5-trihydroxy-2-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyphosphoryl]oxypropyl] (Z)-nonadec-9-enoate
Manual XrefsDatabases
LMGP15040015LIPID MAPS