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CHEBI:190845 - PE(DiMe(11,5)/DiMe(9,3))

ChEBI IDCHEBI:190845
ChEBI NamePE(DiMe(11,5)/DiMe(9,3))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H78NO10P
Net Charge0
Average Mass824.090
Monoisotopic Mass823.53633
SMILESCCCCCc1oc(CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCc2oc(CCC)c(C)c2C)c(C)c1C
InChIInChI=1S/C45H78NO10P/c1-7-9-20-26-41-37(5)38(6)43(56-41)28-21-16-12-10-11-13-18-23-29-44(47)51-33-39(34-53-57(49,50)52-32-31-46)54-45(48)30-24-19-15-14-17-22-27-42-36(4)35(3)40(55-42)25-8-2/h39H,7-34,46H2,1-6H3,(H,49,50)/t39-/m1/s1
InChIKeyOVXIMROCPJPGIZ-LDLOPFEMSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
PE(DiMe(11,5)/DiMe(9,3)) (CHEBI:190845) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[9-(3,4-dimethyl-5-propyluran-2-yl)nonanoyloxy]propyl] 11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoate
Manual XrefsDatabases
HMDB0061483HMDB
59662763ChemSpider