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CHEBI:186537 - OHODiA-PI

ChEBI IDCHEBI:186537
ChEBI NameOHODiA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H61O16P
Net Charge0
Average Mass768.831
Monoisotopic Mass768.36972
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC(O)/C=C/C(=O)O
InChIInChI=1S/C35H61O16P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(39)48-23-26(50-29(40)20-17-18-25(36)21-22-27(37)38)24-49-52(46,47)51-35-33(44)31(42)30(41)32(43)34(35)45/h9-10,21-22,25-26,30-36,41-45H,2-8,11-20,23-24H2,1H3,(H,37,38)(H,46,47)/b10-9-,22-21+/t25?,26-,30?,31-,32?,33?,34?,35?/m1/s1
InChIKeyXPIBHMKPQNUICW-JQSVLCECSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OHODiA-PI (CHEBI:186537) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
(E)-4-hydroxy-8-[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-8-oxooct-2-enoic acid
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