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CHEBI:185550 - LPIM2(16:0/0:0)

ChEBI IDCHEBI:185550
ChEBI NameLPIM2(16:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H69O22P
Net Charge0
Average Mass896.911
Monoisotopic Mass896.40181
SMILESCCCCCCCCCCCCCCCC(=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/C37H69O22P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(41)53-18-20(40)19-54-60(51,52)59-35-33(57-36-31(49)26(44)24(42)21(16-38)55-36)29(47)28(46)30(48)34(35)58-37-32(50)27(45)25(43)22(17-39)56-37/h20-22,24-40,42-50H,2-19H2,1H3,(H,51,52)/t20-,21?,22?,24-,25+,26?,27?,28?,29?,30?,31-,32+,33-,34?,35?,36-,37+/m1/s1
InChIKeyMOEKLGVOVLDLKN-ZXSBQCFNSA-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(16:0/0:0) (CHEBI:185550) 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] hexadecanoate
Manual XrefsDatabases
LMGP15040009LIPID MAPS