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CHEBI:186420 - 1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

ChEBI IDCHEBI:186420
ChEBI Name1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H77O9P
Net Charge0
Average Mass805.087
Monoisotopic Mass804.53052
SMILESO=C(CCCCCCCC1CCC2C(C1)C1C3CCC3C21)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21
InChIInChI=1S/C46H77O9P/c47-26-32(48)27-54-56(50,51)55-29-33(52-23-11-7-2-1-4-8-12-30-15-17-38-40(24-30)45-36-21-19-34(36)43(38)45)28-53-42(49)14-10-6-3-5-9-13-31-16-18-39-41(25-31)46-37-22-20-35(37)44(39)46/h30-41,43-48H,1-29H2,(H,50,51)/t30?,31?,32-,33+,34?,35?,36?,37?,38?,39?,40?,41?,43?,44?,45?,46?/m0/s1
InChIKeyLCKLZYLOGMDPPP-ZPKOZNJRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:186420) is a ether lipid (CHEBI:64611)
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:186420) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propyl] 8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octanoate
Manual XrefsDatabases
24823111ChemSpider
LMGP04110004LIPID MAPS