CHEBI:186184 - PI(21:0/16:0)

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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 PI(21:0/16:0)
ChEBI ID CHEBI:186184
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/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-22-16-14-12-10-8-6-4-2/h38,41-46,49-53H,3-37H2,1-2H3,(H,54,55)/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKey VJHWRYFPXZLQDM-NNPCEOGRSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(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(21:0/16:0) (CHEBI:186184) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] henicosanoate
Manual Xref Database
LMGP06010649 LIPID MAPS
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