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CHEBI:184809 - (2-aminoethoxy)[(2R)-2-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy]phosphinic acid

ChEBI IDCHEBI:184809
ChEBI Name(2-aminoethoxy)[(2R)-2-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H90NO10P
Net Charge0
Average Mass908.252
Monoisotopic Mass907.63023
SMILESCCCCCc1oc(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCc2oc(CCCCC)c(C)c2C)COP(=O)(O)OCCN)c(C)c1C
InChIInChI=1S/C51H90NO10P/c1-7-9-25-31-46-41(3)43(5)48(61-46)33-27-21-17-13-11-12-14-20-24-30-36-51(54)60-45(40-59-63(55,56)58-38-37-52)39-57-50(53)35-29-23-19-16-15-18-22-28-34-49-44(6)42(4)47(62-49)32-26-10-8-2/h45H,7-40,52H2,1-6H3,(H,55,56)/t45-/m1/s1
InChIKeyITYKVNCCHSCSRQ-WBVITSLISA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(2-aminoethoxy)[(2R)-2-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy]phosphinic acid (CHEBI:184809) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]propan-2-yl] 13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoate
Manual XrefsDatabases
59662762ChemSpider
HMDB0061482HMDB