CHEBI:132461 - β-D-glucosyl-(1↔1ʼ)-N-docosanoyl-(4E,14Z)-sphingadienine

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ChEBI Name β-D-glucosyl-(1↔1ʼ)-N-docosanoyl-(4E,14Z)-sphingadienine
ChEBI ID CHEBI:132461
ChEBI ASCII Name beta-D-glucosyl-(1<->1')-N-docosanoyl-(4E,14Z)-sphingadienine
Definition A β-D-glucosylceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of β-D-glucosyl-(1↔1ʼ)-(4E,14Z)-sphingadienine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H87NO8
Net Charge 0
Average Mass 782.187
Monoisotopic Mass 781.64317
InChI InChI=1S/C46H87NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h8,10,33,35,39-41,43-46,48-49,51-53H,3-7,9,11-32,34,36-38H2,1-2H3,(H,47,50)/b10-8-,35-33+/t39-,40+,41+,43+,44-,45+,46+/m0/s1
InChIKey BZVOAOVDSULRAB-MJSBZNPBSA-N
SMILES [C@H]([C@@H](/C=C/CCCCCCCC/C=C\CCC)O)(NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Metabolite of Species Details
Calanus helgolandicus (NCBI:txid114068) See: MetaboLights Study
Calanus helgolandicus (NCBI:txid114068) See: PubMed
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-D-glucosyl-(1↔1ʼ)-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132461) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-(1↔1ʼ)-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132461) has functional parent sphinga-4E,14Z-dienine (CHEBI:73889)
β-D-glucosyl-(1↔1ʼ)-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132461) has role marine metabolite (CHEBI:76507)
β-D-glucosyl-(1↔1ʼ)-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132461) is a β-D-glucosylceramide (CHEBI:83264)
IUPAC Name
N-[(2S,3R,4E,14Z)-1-(β-D-glucopyranosyloxy)-3-hydroxyoctadeca-4,14-dien-2-yl]docosanamide
Synonyms Sources
GlcCer(d18:2/22:0) LIPID MAPS
N-(docosanoyl)-1-β-galactosyl-4E,14Z-sphingadienine LIPID MAPS
Manual Xref Database
LMSP0501AA37 LIPID MAPS
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Citation Waiting for Citations Type Source
26364855 PubMed citation Europe PMC
Last Modified
13 January 2017