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CHEBI:187619 - PHOOA-PI

ChEBI IDCHEBI:187619
ChEBI NamePHOOA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H59O15P
Net Charge0
Average Mass726.794
Monoisotopic Mass726.35916
SMILESCCCCCCCCCCCCCCCC(=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
InChIInChI=1S/C33H59O15P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(36)45-22-25(47-27(37)20-15-17-24(35)18-16-21-34)23-46-49(43,44)48-33-31(41)29(39)28(38)30(40)32(33)42/h16,18,21,24-25,28-33,35,38-42H,2-15,17,19-20,22-23H2,1H3,(H,43,44)/b18-16+/t24?,25-,28?,29-,30?,31?,32?,33?/m1/s1
InChIKeyBZDATZLAQUIUSA-IRTNJDBASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PHOOA-PI (CHEBI:187619) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-[(E)-5-hydroxy-8-oxooct-6-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Manual XrefsDatabases
LMGP20050005LIPID MAPS