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CHEBI:72835 - 1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−)

ChEBI IDCHEBI:72835
ChEBI Name1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−)
Stars
ASCII Name1,2-dihexadecanoyl-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 1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol.
Last Modified3 February 2015
Submitterabridge
DownloadsMolfile
FormulaC41H78O13P
Net Charge-1
Average Mass810.036
Monoisotopic Mass809.51855
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/p-1/t33-,36-,37-,38+,39-,40-,41-/m1/s1
InChIKeyIBUKXRINTKQBRQ-KCKFLZCVSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72835) is a 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:64875)
1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72835) is a phosphatidylinositol 32:0(1−) (CHEBI:74231)
1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72835) is conjugate base of 1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73229)
Incoming Relation(s)
1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73229) is conjugate acid of 1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72835)
IUPAC Name 
(2R)-2,3-bis(hexadecanoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
PI(16:0/16:0)SUBMITTER
1,2-dipalmitoyl-sn-glycero-3-phospho-D-myo-inositol(1−)SUBMITTER
dipalmitoyl-L-1-phosphatidyl-inositolMetaCyc
UniProt Name  Source
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol)UniProt
Manual XrefsDatabases
CPD66-45MetaCyc