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CHEBI:188310 - PI(12:0/17:2(9Z,12Z))

ChEBI IDCHEBI:188310
ChEBI NamePI(12:0/17:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H69O13P
Net Charge0
Average Mass764.931
Monoisotopic Mass764.44758
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C38H69O13P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(40)50-30(28-48-31(39)26-24-22-20-18-12-10-8-6-4-2)29-49-52(46,47)51-38-36(44)34(42)33(41)35(43)37(38)45/h9,11,14-15,30,33-38,41-45H,3-8,10,12-13,16-29H2,1-2H3,(H,46,47)/b11-9-,15-14-/t30-,33?,34-,35?,36?,37?,38?/m1/s1
InChIKeySOLDYOYSQMOETK-BVKNYPCISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PI(12:0/17:2(9Z,12Z)) (CHEBI:188310) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
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