EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228773 - HexCer 16:3;2O/16:2;O

ChEBI IDCHEBI:228773
ChEBI NameHexCer 16:3;2O/16:2;O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H65NO9
Net Charge0
Average Mass679.936
Monoisotopic Mass679.46593
SMILESCCC/C=C/CC/C=C/CC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C38H65NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(42)37(46)39-30(29-47-38-36(45)35(44)34(43)33(28-40)48-38)31(41)26-24-22-20-18-16-14-12-10-8-6-4-2/h8,10,16-19,23-26,30-36,38,40-45H,3-7,9,11-15,20-22,27-29H2,1-2H3,(H,39,46)/b10-8+,18-16+,19-17-,25-23-,26-24+
InChIKeyLDNZLRTVPAEUFL-JLBZHHGRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
HexCer 16:3;2O/16:2;O (CHEBI:228773) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(4Z,7Z)-2-hydroxy-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-4,8,12-trien-2-yl]hexadeca-4,7-dienamide