EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230927 - Cer(t18:0/LTE4)

ChEBI IDCHEBI:230927
ChEBI NameCer(t18:0/LTE4)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H74N2O7S
Net Charge0
Average Mass739.117
Monoisotopic Mass738.52167
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)N[C@@H](CO)C(O)C(O)CCCCCCCCCCCCCC)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C41H74N2O7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-37(46)40(49)35(32-44)43-41(50)34(42)33-51-38(36(45)29-27-31-39(47)48)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,22,24,26,30,34-38,40,44-46,49H,3-11,13,15-17,19,21,23,25,27-29,31-33,42H2,1-2H3,(H,43,50)(H,47,48)/b14-12-,20-18-,24-22+,30-26+/t34-,35-,36-,37?,38+,40?/m0/s1
InChIKeyGSCKCDNNKNVICD-RVUVIFDUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cer(t18:0/LTE4) (CHEBI:230927) is a hydroxy fatty acid (CHEBI:24654)
Cer(t18:0/LTE4) (CHEBI:230927) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name 
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-oxo-3-[[(2S)-1,3,4-trihydroxyoctadecan-2-yl]amino]propyl]sulanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Manual XrefsDatabases
HMDB0290166HMDB