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CHEBI:185491 - (2-aminoethoxy)[(2R)-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy]phosphinic acid

ChEBI IDCHEBI:185491
ChEBI Name(2-aminoethoxy)[(2R)-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H82NO10P
Net Charge0
Average Mass852.144
Monoisotopic Mass851.56763
SMILESCCCCCc1oc(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCc2oc(CCC)c(C)c2C)COP(=O)(O)OCCN)c(C)c1C
InChIInChI=1S/C47H82NO10P/c1-7-9-22-28-43-39(5)40(6)45(58-43)30-24-19-15-11-13-17-21-26-32-47(50)56-41(36-55-59(51,52)54-34-33-48)35-53-46(49)31-25-20-16-12-10-14-18-23-29-44-38(4)37(3)42(57-44)27-8-2/h41H,7-36,48H2,1-6H3,(H,51,52)/t41-/m1/s1
InChIKeyMBBDWNLBOHLHQW-VQJSHJPSSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(2-aminoethoxy)[(2R)-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy]phosphinic acid (CHEBI:185491) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]propyl] 11-(3,4-dimethyl-5-propyluran-2-yl)undecanoate
Manual XrefsDatabases
HMDB0061472HMDB
59662752ChemSpider