EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183172 - 1-(8-(5)-ladderane-octanyl)-2-(8-(3)-ladderane-octanyl)-sn-glycerophosphoethanolamine

ChEBI IDCHEBI:183172
ChEBI Name1-(8-(5)-ladderane-octanyl)-2-(8-(3)-ladderane-octanyl)-sn-glycerophosphoethanolamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H76NO6P
Net Charge0
Average Mass758.078
Monoisotopic Mass757.54103
SMILESNCCOP(=O)(O)OC[C@@H](COCCCCCCCCC1CC2C1C1C3C4CCC4C3C21)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21
InChIInChI=1S/C45H76NO6P/c46-21-24-51-53(47,48)52-28-31(50-23-12-8-4-1-5-9-13-29-15-16-36-37(25-29)41-33-18-17-32(33)40(36)41)27-49-22-11-7-3-2-6-10-14-30-26-38-39(30)45-43-35-20-19-34(35)42(43)44(38)45/h29-45H,1-28,46H2,(H,47,48)/t29?,30?,31-,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?/m1/s1
InChIKeySOXDEQCQOKITCK-BLJLBUSSSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
ChEBI Ontology
Outgoing Relation(s)
1-(8-(5)-ladderane-octanyl)-2-(8-(3)-ladderane-octanyl)-sn-glycerophosphoethanolamine (CHEBI:183172) is a dialkylglycerophosphoethanolamine (CHEBI:37814)
IUPAC Name 
2-aminoethyl [(2R)-3-[8-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)octoxy]-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propyl] hydrogen phosphate
Manual XrefsDatabases
24823072ChemSpider
LMGP02040014LIPID MAPS