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CHEBI:185523 - [(2R)-2,3-bis({[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy][2-(dimethylamino)ethoxy]phosphinic acid

ChEBI IDCHEBI:185523
ChEBI Name[(2R)-2,3-bis({[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy][2-(dimethylamino)ethoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H98NO10P
Net Charge0
Average Mass964.360
Monoisotopic Mass963.69283
SMILESCCCCCc1oc(CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCc2oc(CCCCC)c(C)c2C)c(C)c1C
InChIInChI=1S/C55H98NO10P/c1-9-11-29-35-50-45(3)47(5)52(65-50)37-31-25-21-17-13-15-19-23-27-33-39-54(57)61-43-49(44-63-67(59,60)62-42-41-56(7)8)64-55(58)40-34-28-24-20-16-14-18-22-26-32-38-53-48(6)46(4)51(66-53)36-30-12-10-2/h49H,9-44H2,1-8H3,(H,59,60)/t49-/m1/s1
InChIKeyFVDDCINJXQVWTB-ANFMRNGASA-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-(dimethylamino)ethoxy]phosphinic acid (CHEBI:185523) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name 
[(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoyloxy]propyl] 13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoate
Manual XrefsDatabases
74876499ChemSpider
HMDB0114700HMDB