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CHEBI:138561 - 1-(9Z,12Z-heptadecadienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phospho-(1'-myo-inositol)

ChEBI IDCHEBI:138561
ChEBI Name1-(9Z,12Z-heptadecadienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phospho-(1'-myo-inositol)
Stars
ASCII Name1-(9Z,12Z-heptadecadienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phospho-(1'-myo-inositol)
Last Modified28 September 2017
Submittermwilliams
DownloadsMolfile
FormulaC48H81O13P
Net Charge0
Average Mass897.137
Monoisotopic Mass896.54148
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C48H81O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(50)60-40(39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55)38-58-41(49)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h10-13,16-19,21-22,25,27,40,43-48,51-55H,3-9,14-15,20,23-24,26,28-39H2,1-2H3,(H,56,57)/b12-10-,13-11-,18-16-,19-17-,22-21-,27-25-/t40-,43?,44-,45?,46?,47?,48-/m1/s1
InChIKeyINLNBZTYRLXXCU-YTBMDRSFSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(9Z,12Z-heptadecadienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phospho-(1'-myo-inositol) (CHEBI:138561) is a phosphatidylinositol 39:6 (CHEBI:138554)
Synonym  Source
PI(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))LIPID MAPS
Manual XrefsDatabases
LMGP06010274LIPID MAPS