EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138085 - PI(18:3(6Z,9Z,12Z)/0:0)

ChEBI IDCHEBI:138085
ChEBI NamePI(18:3(6Z,9Z,12Z)/0:0)
Stars
ASCII NamePI(18:3(6Z,9Z,12Z)/0:0)
Last Modified3 August 2017
Submittermwilliams
DownloadsMolfile
FormulaC27H47O12P
Net Charge0
Average Mass594.635
Monoisotopic Mass594.28051
SMILES[H][C@@](O)(COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C27H47O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,12-13,20,22-28,30-34H,2-5,8,11,14-19H2,1H3,(H,35,36)/b7-6-,10-9-,13-12-/t20-,22?,23-,24?,25?,26?,27-/m1/s1
InChIKeyLLHYFNVRZDNGJG-CPGAUMDZSA-N
ChEBI Ontology
Outgoing Relation(s)
PI(18:3(6Z,9Z,12Z)/0:0) (CHEBI:138085) is a lysophosphatidylinositol 18:3 (CHEBI:138084)
Synonym  Source
1-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phospho-(1'-myo-inositol)LIPID MAPS
Manual XrefsDatabases
LMGP06050016LIPID MAPS