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CHEBI:187694 - PIM1(16:0/16:2(9Z,12Z))

Default Structure
ChEBI IDCHEBI:187694
ChEBI NamePIM1(16:0/16:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H85O18P
Net Charge0
Average Mass969.153
Monoisotopic Mass968.54735
SMILESCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)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/C47H85O18P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(49)60-32-34(62-37(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-61-66(58,59)65-46-43(56)41(54)40(53)42(55)45(46)64-47-44(57)39(52)38(51)35(31-48)63-47/h8,10,14,16,34-35,38-48,51-57H,3-7,9,11-13,15,17-33H2,1-2H3,(H,58,59)/b10-8-,16-14-/t34-,35?,38-,39?,40-,41?,42?,43?,44-,45-,46-,47-/m1/s1
InChIKeyXPZOFVAZZMCCPN-ZKBAQJPJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
PIM1(16:0/16:2(9Z,12Z)) (CHEBI:187694) is a phosphatidylinositol mannoside (CHEBI:59466)
IUPAC Name 
[(2R)-2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxy-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] hexadecanoate
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LMGP15010005LIPID MAPS