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CHEBI:176991 - PI(12:0/21:0)

ChEBI IDCHEBI:176991
ChEBI NamePI(12:0/21:0)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC42H81O13P
Net Charge0
Average Mass825.071
Monoisotopic Mass824.54148
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C42H81O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-36(44)54-34(32-52-35(43)30-28-26-24-22-12-10-8-6-4-2)33-53-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49/h34,37-42,45-49H,3-33H2,1-2H3,(H,50,51)/t34-,37?,38-,39?,40?,41?,42?/m1/s1
InChIKeyXASISADBKAQFMW-AHOOHDHWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PI(12:0/21:0) (CHEBI:176991) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] henicosanoate
Manual XrefsDatabases
LMGP06010032LIPID MAPS