EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229076 - Cerebroside 1

ChEBI IDCHEBI:229076
ChEBI NameCerebroside 1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H83NO9
Net Charge0
Average Mass770.146
Monoisotopic Mass769.60678
SMILESCCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22+,32-30+/t36-,37+,38?,39+,40+,41-,42+,44+/m0/s1
InChIKeyDCBUKXJYPRDHOR-GHGJWGTDSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Cerebroside 1 (CHEBI:229076) is a glycosphingolipid (CHEBI:24402)
IUPAC Name 
2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]icosanamide
Manual XrefsDatabases
5291664ChemSpider