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CHEBI:186148 - PI(22:0/17:2(9Z,12Z))

ChEBI IDCHEBI:186148
ChEBI NamePI(22:0/17:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H89O13P
Net Charge0
Average Mass905.201
Monoisotopic Mass904.60408
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C48H89O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-41(49)58-38-40(39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55)60-42(50)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h10,12,16,18,40,43-48,51-55H,3-9,11,13-15,17,19-39H2,1-2H3,(H,56,57)/b12-10-,18-16-/t40-,43?,44-,45?,46?,47?,48?/m1/s1
InChIKeyXCWRCJLKOSLVPG-ZHWFLAHUSA-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(22:0/17:2(9Z,12Z)) (CHEBI:186148) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] docosanoate
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