CHEBI:190227 - PI(17:0/18:1)

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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(17:0/18:1)
ChEBI ID CHEBI:190227
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H83O13P
Net Charge 0
Average Mass 851.109
Monoisotopic Mass 850.55713
InChI InChI=1S/C44H83O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(46)56-36(34-54-37(45)32-30-28-26-24-14-12-10-8-6-4-2)35-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51/h18-19,36,39-44,47-51H,3-17,20-35H2,1-2H3,(H,52,53)/b19-18-/t36-,39?,40-,41?,42?,43?,44?/m1/s1
InChIKey IWPXVEMEORANHL-VPIALDNNSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(O)=O
Metabolite of Species Details
Canis lupus (NCBI:txid9612) Found in liver (BTO:0000759). See: MetaboLights Study
ChEBI Ontology
Outgoing PI(17:0/18:1) (CHEBI:190227) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (Z)-docos-11-enoate
Manual Xref Database
LMGP06010057 LIPID MAPS
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