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CHEBI:187335 - PI(O-16:0/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:187335
ChEBI NamePI(O-16:0/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H77O12P
Net Charge0
Average Mass817.051
Monoisotopic Mass816.51526
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C43H77O12P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(44)54-36(34-52-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)35-53-56(50,51)55-43-41(48)39(46)38(45)40(47)42(43)49/h5,7,11,13,17,19,22,24,36,38-43,45-49H,3-4,6,8-10,12,14-16,18,20-21,23,25-35H2,1-2H3,(H,50,51)/b7-5-,13-11-,19-17-,24-22-/t36-,38?,39-,40?,41?,42?,43?/m1/s1
InChIKeyROHRDVFYPAKHLE-GIUPWTBQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PI(O-16:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:187335) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
LMGP06020011LIPID MAPS