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CHEBI:72836 - 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−)

Default Structure
ChEBI IDCHEBI:72836
ChEBI Name1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−)
Stars
ASCII Name1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1-)
DefinitionA 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) obtained by deprotonation of the phosphate OH group of 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol.
Last Modified3 February 2015
Submitterabridge
DownloadsMolfile
FormulaC43H82O13P
Net Charge-1
Average Mass838.090
Monoisotopic Mass837.54985
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C43H83O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38-43,46-50H,3-34H2,1-2H3,(H,51,52)/p-1/t35-,38-,39-,40+,41-,42-,43-/m1/s1
InChIKeyNEXFZIYXCPIHEF-BHIZUYRXSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72836) is a 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:64875)
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72836) is a phosphatidylinositol 34:0(1−) (CHEBI:74232)
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72836) is conjugate base of 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73223)
Incoming Relation(s)
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73223) is conjugate acid of 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72836)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
1-palmitoyl-2-stearoyl-sn-glycero-3-phospho-D-myo-inositol(1−)ChEBI
PI(16:0/18:0)SUBMITTER
UniProt Name  Source
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol)UniProt