CHEBI:186371 - PI(P-16:0/22:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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(P-16:0/22:0)
ChEBI ID CHEBI:186371
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H91O12P
Net Charge 0
Average Mass 879.207
Monoisotopic Mass 878.62482
InChI InChI=1S/C47H91O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-41(48)58-40(38-56-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53/h35,37,40,42-47,49-53H,3-34,36,38-39H2,1-2H3,(H,54,55)/b37-35-/t40-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKey CECXENXTUAAAER-SHVHUEHDSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)CO/C=C\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(P-16:0/22:0) (CHEBI:186371) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] docosanoate
Manual Xref Database
LMGP06030025 LIPID MAPS
View more database links