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CHEBI:183171 - 1-heptadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)(ammonium salt)

ChEBI IDCHEBI:183171
ChEBI Name1-heptadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)(ammonium salt)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H74O13P.H4N
Net Charge0
Average Mass812.032
Monoisotopic Mass811.52108
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])OC1C(O)C(O)C(O)[C@@H](O)C1O.[NH4+]
InChIInChI=1S/C40H75O13P.H3N/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-33(41)50-30-32(52-34(42)29-27-25-23-21-18-14-12-10-8-6-4-2)31-51-54(48,49)53-40-38(46)36(44)35(43)37(45)39(40)47;/h10,12,32,35-40,43-47H,3-9,11,13-31H2,1-2H3,(H,48,49);1H3/b12-10-;/t32-,35?,36-,37?,38?,39?,40?;/m1./s1
InChIKeyVDNRHLFKICVCHS-JWRYBEQVSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
ChEBI Ontology
Outgoing Relation(s)
1-heptadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)(ammonium salt) (CHEBI:183171) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
azanium;[(2R)-3-heptadecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
Manual XrefsDatabases
7826094ChemSpider
LMGP06010006LIPID MAPS