EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187277 - 1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine

ChEBI IDCHEBI:187277
ChEBI Name1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H74NO6P
Net Charge0
Average Mass683.996
Monoisotopic Mass683.52538
SMILESCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21
InChIInChI=1S/C39H74NO6P/c1-2-3-4-5-6-7-8-9-10-12-15-18-26-43-30-33(31-46-47(41,42)45-28-25-40)44-27-19-16-13-11-14-17-20-32-21-22-36-37(29-32)39-35-24-23-34(35)38(36)39/h32-39H,2-31,40H2,1H3,(H,41,42)/t32?,33-,34?,35?,36?,37?,38?,39?/m1/s1
InChIKeyBRDHQOGGOROTRW-MXFUHDRJSA-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-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine (CHEBI:187277) is a dialkylglycerophosphoethanolamine (CHEBI:37814)
IUPAC Name 
2-aminoethyl [(2R)-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]-3-tetradecoxypropyl] hydrogen phosphate
Manual XrefsDatabases
24823073ChemSpider
LMGP02040015LIPID MAPS