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CHEBI:138564 - 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phospho-(1'-myo-inositol)

Default Structure
ChEBI IDCHEBI:138564
ChEBI Name1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phospho-(1'-myo-inositol)
Stars
ASCII Name1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phospho-(1'-myo-inositol)
Last Modified28 September 2017
Submittermwilliams
DownloadsMolfile
FormulaC31H49O12P
Net Charge0
Average Mass644.695
Monoisotopic Mass644.29616
SMILES[H][C@@](O)(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C31H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(33)41-22-24(32)23-42-44(39,40)43-31-29(37)27(35)26(34)28(36)30(31)38/h3-4,6-7,9-10,12-13,15-16,18-19,24,26-32,34-38H,2,5,8,11,14,17,20-23H2,1H3,(H,39,40)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t24-,26?,27-,28?,29?,30?,31-/m1/s1
InChIKeyCAPHXUZAFHNJAV-GMXJNWCBSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phospho-(1'-myo-inositol) (CHEBI:138564) is a lysophosphatidylinositol 22:6 (CHEBI:138556)
Synonyms  Source
LPI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)LIPID MAPS
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)LIPID MAPS
Manual XrefsDatabases
LMGP06050012LIPID MAPS