EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187117 - PKHdiA-PE

ChEBI IDCHEBI:187117
ChEBI NamePKHdiA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50NO11P
Net Charge0
Average Mass607.678
Monoisotopic Mass607.31215
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC(=O)/C=C/C(=O)O
InChIInChI=1S/C28H50NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-27(33)37-22-25(23-39-41(35,36)38-21-20-29)40-28(34)19-17-24(30)16-18-26(31)32/h16,18,25H,2-15,17,19-23,29H2,1H3,(H,31,32)(H,35,36)/b18-16+/t25-/m1/s1
InChIKeyUAQNHOYAWYONCV-QQDPUAARSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PKHdiA-PE (CHEBI:187117) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(E)-7-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4,7-dioxohept-2-enoic acid
Manual XrefsDatabases
LMGP20020016LIPID MAPS
113380835ChemSpider