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CHEBI:185949 - PIM1(19:2(9Z,12Z)/16:1(9Z))

Default Structure
ChEBI IDCHEBI:185949
ChEBI NamePIM1(19:2(9Z,12Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H89O18P
Net Charge0
Average Mass1009.218
Monoisotopic Mass1008.57865
SMILESCCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C50H89O18P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-39(52)63-35-37(65-40(53)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2)36-64-69(61,62)68-49-46(59)44(57)43(56)45(58)48(49)67-50-47(60)42(55)41(54)38(34-51)66-50/h13-16,18-19,37-38,41-51,54-60H,3-12,17,20-36H2,1-2H3,(H,61,62)/b15-13-,16-14-,19-18-/t37-,38?,41-,42?,43-,44?,45?,46?,47-,48-,49-,50-/m1/s1
InChIKeyYAAAXTFVRBNUAN-RAWHOSHNSA-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(19:2(9Z,12Z)/16:1(9Z)) (CHEBI:185949) is a phosphatidylinositol mannoside (CHEBI:59466)
IUPAC Name 
[(2R)-2-[(Z)-hexadec-9-enoyl]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] (9Z,12Z)-nonadeca-9,12-dienoate
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