CHEBI:185927 - PIP2(16:0/16:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PIP2(16:0/16:0)
ChEBI ID CHEBI:185927
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H81O19P3
Net Charge 0
Average Mass 971.001
Monoisotopic Mass 970.45849
InChI InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36?,37?,38?,39+,40?,41+/m1/s1
InChIKey HKWJHKSHEWVOSS-ADCMPYHFSA-N
SMILES P(O[C@@H]1C(O)[C@H](OP(O)(O)=O)C(OP(O)(O)=O)C(O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)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
ChEBI Ontology
Outgoing PIP2(16:0/16:0) (CHEBI:185927) is a phosphatidylinositol bisphosphate (CHEBI:37328)
IUPAC Name
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,5S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Manual Xrefs Databases
24767909 ChemSpider
C00626 KEGG COMPOUND
HMDB0010032 HMDB
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