CHEBI:186298 - PI(O-16:0/21:0)

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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(O-16:0/21:0)
ChEBI ID CHEBI:186298
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H91O12P
Net Charge 0
Average Mass 867.196
Monoisotopic Mass 866.62482
InChI InChI=1S/C46H91O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-40(47)57-39(37-55-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)38-56-59(53,54)58-46-44(51)42(49)41(48)43(50)45(46)52/h39,41-46,48-52H,3-38H2,1-2H3,(H,53,54)/t39-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKey GXURWWZWEPNULU-UWDKVQQMSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(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(O-16:0/21:0) (CHEBI:186298) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name
[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] henicosanoate
Manual Xref Database
LMGP06020015 LIPID MAPS
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