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CHEBI:183169 - 1-(6-(3)-ladderane-hexanoyl)-2-(8-(3)-ladderane-octanyl)-sn-glycerophosphocholine

ChEBI IDCHEBI:183169
ChEBI Name1-(6-(3)-ladderane-hexanoyl)-2-(8-(3)-ladderane-octanyl)-sn-glycerophosphocholine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H78NO7P
Net Charge0
Average Mass788.104
Monoisotopic Mass787.55159
SMILESC[N+](C)(C)CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCC1CCC2C(C1)C1C3CCC3C21)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21
InChIInChI=1S/C46H78NO7P/c1-47(2,3)24-26-53-55(49,50)54-30-33(29-52-42(48)15-11-8-10-14-32-17-19-39-41(28-32)46-37-23-21-35(37)44(39)46)51-25-12-7-5-4-6-9-13-31-16-18-38-40(27-31)45-36-22-20-34(36)43(38)45/h31-41,43-46H,4-30H2,1-3H3/t31?,32?,33-,34?,35?,36?,37?,38?,39?,40?,41?,43?,44?,45?,46?/m1/s1
InChIKeyTXHQKABDMABERL-HACJNBTNSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
ChEBI Ontology
Outgoing Relation(s)
1-(6-(3)-ladderane-hexanoyl)-2-(8-(3)-ladderane-octanyl)-sn-glycerophosphocholine (CHEBI:183169) is a alkylacylglycero-3-phosphocholine (CHEBI:78189)
IUPAC Name 
[(2R)-3-[6-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)hexanoyloxy]-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24823064ChemSpider
LMGP01080003LIPID MAPS