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CHEBI:184867 - PA-PI

ChEBI IDCHEBI:184867
ChEBI NamePA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H63O15P
Net Charge0
Average Mass742.837
Monoisotopic Mass742.39046
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C34H63O15P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-27(37)46-23-25(48-28(38)22-19-16-13-14-17-20-26(35)36)24-47-50(44,45)49-34-32(42)30(40)29(39)31(41)33(34)43/h25,29-34,39-43H,2-24H2,1H3,(H,35,36)(H,44,45)/t25-,29?,30-,31?,32?,33?,34?/m1/s1
InChIKeyGASSMURBTFATAP-ZULHOKSMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PA-PI (CHEBI:184867) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
9-[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl]oxy-9-oxononanoic acid
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LMGP20050013LIPID MAPS