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CHEBI:187013 - OHDdiA-PE

ChEBI IDCHEBI:187013
ChEBI NameOHDdiA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H64NO11P
Net Charge0
Average Mass705.867
Monoisotopic Mass705.42170
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC(O)/C=C/C(=O)O
InChIInChI=1S/C35H64NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-34(40)44-29-32(30-46-48(42,43)45-28-27-36)47-35(41)24-21-18-15-16-19-22-31(37)25-26-33(38)39/h9-10,25-26,31-32,37H,2-8,11-24,27-30,36H2,1H3,(H,38,39)(H,42,43)/b10-9-,26-25+/t31?,32-/m1/s1
InChIKeyUTBCTKGYABIAGC-KLWWBXMVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OHDdiA-PE (CHEBI:187013) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(E)-12-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4-hydroxy-12-oxododec-2-enoic acid
Manual XrefsDatabases
LMGP20020051LIPID MAPS
113380870ChemSpider