EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169340 - 1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine

ChEBI IDCHEBI:169340
ChEBI Name1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H80NO6P
Net Charge0
Average Mass726.077
Monoisotopic Mass725.57233
SMILESCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21
InChIInChI=1S/C42H80NO6P/c1-5-6-7-8-9-10-11-12-13-15-18-21-29-46-33-36(34-49-50(44,45)48-31-28-43(2,3)4)47-30-22-19-16-14-17-20-23-35-24-25-39-40(32-35)42-38-27-26-37(38)41(39)42/h35-42H,5-34H2,1-4H3/t35?,36-,37?,38?,39?,40?,41?,42?/m1/s1
InChIKeyMUSFKPDYXFFNIK-WVFZDJPZSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine (CHEBI:169340) is a ether lipid (CHEBI:64611)
1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine (CHEBI:169340) is a glycerophosphocholine (CHEBI:36313)
IUPAC Name 
[(2R)-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]-3-tetradecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24842038ChemSpider
LMGP01040094LIPID MAPS