EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88558 - PI(18:0/16:2(9Z,12Z))

ChEBI IDCHEBI:88558
ChEBI NamePI(18:0/16:2(9Z,12Z))
Stars
DownloadsMolfile
FormulaC43H79O13P
Net Charge0
Average Mass835.066
Monoisotopic Mass834.52583
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC/C=C\C/C=C\CCC
InChIInChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h8,10,14,16,35,38-43,46-50H,3-7,9,11-13,15,17-34H2,1-2H3,(H,51,52)/b10-8-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
InChIKeyYWDSWFNICPHDCI-NYQWBNQISA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
ChEBI Ontology
Outgoing Relation(s)
PI(18:0/16:2(9Z,12Z)) (CHEBI:88558) is a phosphatidylinositol (CHEBI:28874)
Synonyms  Source
1-Stearoyl-2-(9Z,12Z-hexadecadienoateHMDB
1-Octadecanoyl-2-(9Z,12Z-hexadecadienoate)-sn-glycero-3-phospho-(1'-myo-inositol)HMDB
PIno(18:0/16:2)HMDB
1-Stearoyl-2-(9Z,12Z-hexadecadienoic acidHMDB
PI(18:0/16:2n4)HMDB
PI(18:0/16:2w4)HMDB
Manual XrefsDatabases
HMDB0009807HMDB
PhosphatidylinositolsMetaCyc
LecithinWikipedia
Citations