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CHEBI:192104 - PIP(16:0/22:2(13Z,16Z))

ChEBI IDCHEBI:192104
ChEBI NamePIP(16:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H88O16P2
Net Charge0
Average Mass971.153
Monoisotopic Mass970.55476
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O
InChIInChI=1S/C47H88O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13,17-18,39,42-47,50-53H,3-10,12,14-16,19-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,18-17-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
InChIKeyLTEJCCMXPPUMAK-ADDDISLLSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
PIP(16:0/22:2(13Z,16Z)) (CHEBI:192104) is a glycerophosphoinositol phosphate (CHEBI:35771)
IUPAC Name 
[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(1S,5R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0009933HMDB
24767815ChemSpider