EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187412 - PE(O-18:0/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:187412
ChEBI NamePE(O-18:0/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H78NO7P
Net Charge0
Average Mass728.049
Monoisotopic Mass727.55159
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,40H,3-11,13,15-17,19,21-23,25,27-39,42H2,1-2H3,(H,44,45)/b14-12-,20-18-,26-24-/t40-/m1/s1
InChIKeySQQUREJUWZGOHU-DDSUEHPFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PE(O-18:0/18:3(6Z,9Z,12Z)) (CHEBI:187412) is a alkylacylglycerophosphoethanolamine (CHEBI:52578)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
113375928ChemSpider
LMGP02020049LIPID MAPS