EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193203 - 2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:193203
ChEBI Name2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphocholine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H52NO6P
Net Charge0
Average Mass529.699
Monoisotopic Mass529.35323
SMILESC[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21
InChIInChI=1S/C28H52NO6P/c1-29(2,3)15-17-34-36(31,32)35-20-22(19-30)33-16-9-7-5-4-6-8-10-21-11-12-25-26(18-21)28-24-14-13-23(24)27(25)28/h21-28,30H,4-20H2,1-3H3/t21?,22-,23?,24?,25?,26?,27?,28?/m1/s1
InChIKeyZUCLYSUAXIPVLL-VMYIDWAWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphocholine (CHEBI:193203) is a monoalkylglycerophosphocholine (CHEBI:78196)
IUPAC Name 
[(2R)-3-hydroxy-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01060026LIPID MAPS
24842040ChemSpider