CHEBI:179113 - PI(20:0/12:0)

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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 PI(20:0/12:0)
ChEBI ID CHEBI:179113
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C41H79O13P
Net Charge 0
Average Mass 811.044
Monoisotopic Mass 810.52583
InChI InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-34(42)51-31-33(53-35(43)30-28-26-24-21-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36?,37-,38?,39?,40?,41?/m1/s1
InChIKey CAROCKXXWFXBQM-CSRWQWPHSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)=O
ChEBI Ontology
Outgoing PI(20:0/12:0) (CHEBI:179113) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-2-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] icosanoate
Manual Xref Database
LMGP06010836 LIPID MAPS
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