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CHEBI:185802 - PIM1(18:1(9Z)/16:2(9Z,12Z))

ChEBI IDCHEBI:185802
ChEBI NamePIM1(18:1(9Z)/16:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H87O18P
Net Charge0
Average Mass995.191
Monoisotopic Mass994.56300
SMILESCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)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/C49H87O18P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(51)62-34-36(64-39(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-63-68(60,61)67-48-45(58)43(56)42(55)44(57)47(48)66-49-46(59)41(54)40(53)37(33-50)65-49/h8,10,14,16-18,36-37,40-50,53-59H,3-7,9,11-13,15,19-35H2,1-2H3,(H,60,61)/b10-8-,16-14-,18-17-/t36-,37?,40-,41?,42-,43?,44?,45?,46-,47-,48-,49-/m1/s1
InChIKeySJJOOTZDWZSHPD-CZTMBDBHSA-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(18:1(9Z)/16:2(9Z,12Z)) (CHEBI:185802) 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] (Z)-octadec-9-enoate
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