EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187652 - PHODiA-PE

ChEBI IDCHEBI:187652
ChEBI NamePHODiA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H54NO11P
Net Charge0
Average Mass623.721
Monoisotopic Mass623.34345
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC(O)/C=C/C(=O)O
InChIInChI=1S/C29H54NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-28(34)38-23-26(24-40-42(36,37)39-22-21-30)41-29(35)18-15-16-25(31)19-20-27(32)33/h19-20,25-26,31H,2-18,21-24,30H2,1H3,(H,32,33)(H,36,37)/b20-19+/t25?,26-/m1/s1
InChIKeyGHAGXTIPRXJPAN-MDRDBUOMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PHODiA-PE (CHEBI:187652) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(E)-8-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4-hydroxy-8-oxooct-2-enoic acid
Manual XrefsDatabases
LMGP20020021LIPID MAPS
113380840ChemSpider