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CHEBI:186417 - 1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

ChEBI IDCHEBI:186417
ChEBI Name1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H71O9P
Net Charge0
Average Mass775.017
Monoisotopic Mass774.48357
SMILESO=C(CCCCCC1CC2C1C1C3C4CCC4C3C21)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21
InChIInChI=1S/C44H71O9P/c45-22-28(46)23-52-54(48,49)53-25-29(50-19-9-4-2-1-3-6-10-26-13-14-34-35(20-26)40-31-16-15-30(31)39(34)40)24-51-37(47)12-8-5-7-11-27-21-36-38(27)44-42-33-18-17-32(33)41(42)43(36)44/h26-36,38-46H,1-25H2,(H,48,49)/t26?,27?,28-,29+,30?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41?,42?,43?,44?/m0/s1
InChIKeyUEMBUFLDEFJQDR-CHVWZDHSSA-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-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:186417) is a ether lipid (CHEBI:64611)
1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:186417) 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] 6-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)hexanoate
Manual XrefsDatabases
24823109ChemSpider
LMGP04110002LIPID MAPS