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CHEBI:180770 - PE(DiMe(13,5)/DiMe(13,5))

ChEBI IDCHEBI:180770
ChEBI NamePE(DiMe(13,5)/DiMe(13,5))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H94NO10P
Net Charge0
Average Mass936.306
Monoisotopic Mass935.66153
SMILESCCCCCc1oc(CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCc2oc(CCCCC)c(C)c2C)c(C)c1C
InChIInChI=1S/C53H94NO10P/c1-7-9-27-33-48-43(3)45(5)50(63-48)35-29-23-19-15-11-13-17-21-25-31-37-52(55)59-41-47(42-61-65(57,58)60-40-39-54)62-53(56)38-32-26-22-18-14-12-16-20-24-30-36-51-46(6)44(4)49(64-51)34-28-10-8-2/h47H,7-42,54H2,1-6H3,(H,57,58)/t47-/m1/s1
InChIKeySTZVDMLJLPGTBD-QZNUWAOFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
PE(DiMe(13,5)/DiMe(13,5)) (CHEBI:180770) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoyloxy]propyl] 13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoate
Manual XrefsDatabases
HMDB0061491HMDB
59662771ChemSpider