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CHEBI:187661 - PI(13:0/17:1(9Z))

ChEBI IDCHEBI:187661
ChEBI NamePI(13:0/17:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H73O13P
Net Charge0
Average Mass780.974
Monoisotopic Mass780.47888
SMILESCCCCCCC/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/C39H73O13P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-33(41)51-31(29-49-32(40)27-25-23-21-19-14-12-10-8-6-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)36(44)38(39)46/h15-16,31,34-39,42-46H,3-14,17-30H2,1-2H3,(H,47,48)/b16-15-/t31-,34?,35-,36?,37?,38?,39?/m1/s1
InChIKeyHTTXYWVNVDJWAM-OFQUDPFGSA-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(13:0/17:1(9Z)) (CHEBI:187661) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
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