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CHEBI:184909 - OHODiA-PE

ChEBI IDCHEBI:184909
ChEBI NameOHODiA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H56NO11P
Net Charge0
Average Mass649.759
Monoisotopic Mass649.35910
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC(O)/C=C/C(=O)O
InChIInChI=1S/C31H56NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30(36)40-25-28(26-42-44(38,39)41-24-23-32)43-31(37)20-17-18-27(33)21-22-29(34)35/h9-10,21-22,27-28,33H,2-8,11-20,23-26,32H2,1H3,(H,34,35)(H,38,39)/b10-9-,22-21+/t27?,28-/m1/s1
InChIKeyUEDDAHACYJGEFH-RQSJOKQISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OHODiA-PE (CHEBI:184909) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(E)-8-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4-hydroxy-8-oxooct-2-enoic acid
Manual XrefsDatabases
LMGP20020047LIPID MAPS
113380866ChemSpider