CHEBI:169922 - GlcCer(d18:2(4E,8Z)/25:0(2OH[R]))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name GlcCer(d18:2(4E,8Z)/25:0(2OH[R]))
ChEBI ID CHEBI:169922
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C49H93NO9
Net Charge 0
Average Mass 840.281
Monoisotopic Mass 839.68503
InChI InChI=1S/C49H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(53)48(57)50-41(40-58-49-47(56)46(55)45(54)44(39-51)59-49)42(52)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,35,37,41-47,49,51-56H,3-26,28,30-34,36,38-40H2,1-2H3,(H,50,57)/b29-27-,37-35+/t41-,42+,43+,44+,45+,46?,47?,49+/m0/s1
InChIKey WAMFEJVCOLBTNW-GBIHEQOYSA-N
SMILES O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC[C@H](NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CC/C=C\CCCCCCCCC)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing GlcCer(d18:2(4E,8Z)/25:0(2OH[R])) (CHEBI:169922) is a glycosylceramide (CHEBI:62941)
IUPAC Name
(2R)-2-hydroxy-N-[(2S,3R,4E,8Z)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]pentacosanamide
Manual Xref Database
LMSP05010057 LIPID MAPS
View more database links