EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168456 - (4E,8E,9Me-d19:2)sphingosine

ChEBI IDCHEBI:168456
ChEBI Name(4E,8E,9Me-d19:2)sphingosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H37NO2
Net Charge0
Average Mass311.510
Monoisotopic Mass311.28243
SMILESCCCCCCCCC/C(C)=C/CC/C=C/[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C19H37NO2/c1-3-4-5-6-7-8-10-13-17(2)14-11-9-12-15-19(22)18(20)16-21/h12,14-15,18-19,21-22H,3-11,13,16,20H2,1-2H3/b15-12+,17-14+/t18-,19+/m0/s1
InChIKeyQCUHPIBMMDIRKL-JWBJMZHVSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(4E,8E,9Me-d19:2)sphingosine (CHEBI:168456) is a amino alcohol (CHEBI:22478)
IUPAC Name 
(2S,3R,4E,8E)-2-amino-9-methyloctadeca-4,8-diene-1,3-diol
Manual XrefsDatabases
LMSP01080012LIPID MAPS
9089212ChemSpider