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CHEBI:186502 - PI(13:0/16:1(9Z))

ChEBI IDCHEBI:186502
ChEBI NamePI(13:0/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H71O13P
Net Charge0
Average Mass766.947
Monoisotopic Mass766.46323
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C38H71O13P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-32(40)50-30(28-48-31(39)26-24-22-20-18-14-12-10-8-6-4-2)29-49-52(46,47)51-38-36(44)34(42)33(41)35(43)37(38)45/h13,15,30,33-38,41-45H,3-12,14,16-29H2,1-2H3,(H,46,47)/b15-13-/t30-,33?,34-,35?,36?,37?,38?/m1/s1
InChIKeyWHYVWZDMJFMEHM-RYBXFQMJSA-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(13:0/16:1(9Z)) (CHEBI:186502) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (Z)-hexadec-9-enoate
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