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CHEBI:184411 - [(2R)-2,3-bis({[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy][2-(methylamino)ethoxy]phosphinic acid

ChEBI IDCHEBI:184411
ChEBI Name[(2R)-2,3-bis({[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy][2-(methylamino)ethoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H96NO10P
Net Charge0
Average Mass950.333
Monoisotopic Mass949.67718
SMILESCCCCCc1oc(CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCc2oc(CCCCC)c(C)c2C)c(C)c1C
InChIInChI=1S/C54H96NO10P/c1-8-10-28-34-49-44(3)46(5)51(64-49)36-30-24-20-16-12-14-18-22-26-32-38-53(56)60-42-48(43-62-66(58,59)61-41-40-55-7)63-54(57)39-33-27-23-19-15-13-17-21-25-31-37-52-47(6)45(4)50(65-52)35-29-11-9-2/h48,55H,8-43H2,1-7H3,(H,58,59)/t48-/m1/s1
InChIKeyLBVHTELILAZDHC-QSCHNALKSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
[(2R)-2,3-bis({[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy][2-(methylamino)ethoxy]phosphinic acid (CHEBI:184411) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[(2R)-2-[13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] 13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoate
Manual XrefsDatabases
HMDB0113796HMDB
74876418ChemSpider