CHEBI:187533 - PI(15:0/22:0)

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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(15:0/22:0)
ChEBI ID CHEBI:187533
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H89O13P
Net Charge 0
Average Mass 881.179
Monoisotopic Mass 880.60408
InChI InChI=1S/C46H89O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(48)58-38(36-56-39(47)34-32-30-28-26-24-16-14-12-10-8-6-4-2)37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h38,41-46,49-53H,3-37H2,1-2H3,(H,54,55)/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKey TYKFLBDWLSCVSF-NNPCEOGRSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(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 PI(15:0/22:0) (CHEBI:187533) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] docosanoate
Manual Xref Database
LMGP06010124 LIPID MAPS
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