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CHEBI:142272 - PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:142272
ChEBI NamePIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
Stars
ASCII NamePIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
Last Modified19 September 2018
Submittermwilliams
DownloadsMolfile
FormulaC47H82O16P2
Net Charge0
Average Mass965.105
Monoisotopic Mass964.50781
SMILES[H][C@@](COC(=O)CCCCCCCCC/C=C\CCCCCC)(COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h11,13-14,16-17,19,22,24,28,30,39,42-47,50-53H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,16-14-,19-17-,24-22-,30-28-/t39-,42?,43?,44?,45?,46-,47+/m1/s1
InChIKeyHYVUWABQXJGFQJ-VBJXKZGFSA-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)
PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:142272) is a 1-phosphatidyl-1D-myo-inositol 3-phosphate (CHEBI:17283)
Manual XrefsDatabases
24767848ChemSpider
HMDB0009967HMDB