EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89446 - Lactosylceramide (d18:1/12:0)

ChEBI IDCHEBI:89446
ChEBI NameLactosylceramide (d18:1/12:0)
Stars
Last Modified12 July 2017
DownloadsMolfile
FormulaC42H79NO13
Net Charge0
Average Mass806.088
Monoisotopic Mass805.55514
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C42H79NO13/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-31(46)30(43-34(47)26-24-22-20-17-12-10-8-6-4-2)29-53-41-39(52)37(50)40(33(28-45)55-41)56-42-38(51)36(49)35(48)32(27-44)54-42/h23,25,30-33,35-42,44-46,48-52H,3-22,24,26-29H2,1-2H3,(H,43,47)/b25-23+/t30-,31+,32+,33+,35-,36-,37+,38+,39?,40+,41+,42-/m0/s1
InChIKeyKNWHKVBHCLQVFX-QXWNENIHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (178813)
ChEBI Ontology
Outgoing Relation(s)
Lactosylceramide (d18:1/12:0) (CHEBI:89446) is a glycosylceramide (CHEBI:62941)
IUPAC Name 
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]dodecanamide
Synonyms  Source
1-O-(4-O-b-D-Galactopyranosyl-b-D-glucopyranosyl)-CeramideHMDB
1-O-(4-O-beta-delta-Galactopyranosyl-beta-delta-glucopyranosyl)-CeramideHMDB
1-O-(4-O-beta-delta-Galactopyranosyl-beta-glucopyranosyl)ceramideHMDB
1-O-(4-O-beta-D-Galactopyranosyl-beta-glucopyranosyl)ceramideHMDB
1ylce-O-(4-O-beta-delta-Galactopyranosyl-beta-glucopyranosyl)ceramideHMDB
beta-delta-Galactosyl-1,4-beta-delta-glucosramideHMDB
Manual XrefsDatabases
CYTOLIPIN_HMetaCyc
HMDB0004866HMDB
LMSP0501AB02LIPID MAPS
Registry NumbersSources
CAS:4682-48-8KEGG COMPOUND
Citations