CHEBI:138557 - 1-tridecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol)

ChEBI IDCHEBI:138557
ChEBI Name1-tridecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol)
Stars
ASCII Name1-tridecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol)
Last Modified28 September 2017
Submittermwilliams
DownloadsMolfile
FormulaC44H81O13P
Net Charge0
Average Mass849.093
Monoisotopic Mass848.54148
SMILES[H][C@@](COC(=O)CCCCCCCCCCCC)(COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C44H81O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(46)56-36(34-54-37(45)32-30-28-26-24-14-12-10-8-6-4-2)35-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51/h11,13,16-17,36,39-44,47-51H,3-10,12,14-15,18-35H2,1-2H3,(H,52,53)/b13-11-,17-16-/t36-,39?,40-,41?,42?,43?,44-/m1/s1
InChIKeyVKOLGTZUJRSPMQ-NZXTZBTJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-tridecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol) (CHEBI:138557) is a phosphatidylinositol 35:2 (CHEBI:138552)
Synonym  Source
PI(13:0/22:2(13Z,16Z))LIPID MAPS
Manual XrefsDatabases
LMGP06010058LIPID MAPS