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

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ChEBI Name PIM1(16:0/16:2(9Z,12Z))
ChEBI ID CHEBI:187694
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H85O18P
Net Charge 0
Average Mass 969.153
Monoisotopic Mass 968.54735
InChI InChI=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
InChIKey XPZOFVAZZMCCPN-ZKBAQJPJSA-N
SMILES P(O[C@H]1[C@H](O[C@H]2OC([C@@H](O)C(O)[C@H]2O)CO)C(O)[C@H](O)C(O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): 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).
(via phosphatidylinositol mannoside )
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ChEBI Ontology
Outgoing 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
Manual Xref Database
LMGP15010005 LIPID MAPS
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