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CHEBI:169595 - PE-NMe(13M5/11D5)

ChEBI IDCHEBI:169595
ChEBI NamePE-NMe(13M5/11D5)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H90NO10P
Net Charge0
Average Mass908.252
Monoisotopic Mass907.63023
SMILESCCCCCc1cc(C)c(CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCc2oc(CCCCC)c(C)c2C)o1
InChIInChI=1S/C51H90NO10P/c1-7-9-25-31-45-39-42(3)47(60-45)32-27-21-17-13-11-12-14-19-23-29-35-50(53)57-40-46(41-59-63(55,56)58-38-37-52-6)61-51(54)36-30-24-20-16-15-18-22-28-34-49-44(5)43(4)48(62-49)33-26-10-8-2/h39,46,52H,7-38,40-41H2,1-6H3,(H,55,56)/t46-/m1/s1
InChIKeyYFNKPLVNSOKDSB-YACUFSJGSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
PE-NMe(13M5/11D5) (CHEBI:169595) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[(2R)-2-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] 13-(3-methyl-5-pentyluran-2-yl)tridecanoate
Manual XrefsDatabases
74876424ChemSpider
HMDB0113802HMDB