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CHEBI:85900 - 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)

ChEBI IDCHEBI:85900
ChEBI Name1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)
Stars
ASCII Name1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)
DefinitionA 1-phosphatidyl-1D-myo-inositol 4-phosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl.
Last Modified25 November 2019
SubmitterSteve
DownloadsMolfile
FormulaC25H48O16P2
Net Charge0
Average Mass666.591
Monoisotopic Mass666.24176
SMILESCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC
InChIInChI=1S/C25H48O16P2/c1-3-5-7-9-11-13-18(26)37-15-17(39-19(27)14-12-10-8-6-4-2)16-38-43(35,36)41-25-22(30)20(28)24(21(29)23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/t17-,20-,21+,22-,23-,24+,25+/m1/s1
InChIKeySNIQYSSXZJPPEL-LKTRINTESA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate) (CHEBI:85900) is a 1-phosphatidyl-1D-myo-inositol 4-phosphate (CHEBI:17526)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate) (CHEBI:85900) is a octanoate ester (CHEBI:87657)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate) (CHEBI:85900) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−) (CHEBI:85468)
Incoming Relation(s)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3−) (CHEBI:85468) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate) (CHEBI:85900)
IUPAC Name 
(2R)-3-[(hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dioctanoate
Synonym  Source
PIP[4'](8:0/8:0)ChEBI
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