CHEBI:132458 - β-D-glucosyl-(1↔1ʼ)-N-henicosanoyl-(4E,14Z)-sphingadienine

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ChEBI Name β-D-glucosyl-(1↔1ʼ)-N-henicosanoyl-(4E,14Z)-sphingadienine
ChEBI ID CHEBI:132458
ChEBI ASCII Name beta-D-glucosyl-(1<->1')-N-henicosanoyl-(4E,14Z)-sphingadienine
Definition A β-D-glucosylceramide obtained by formal condensation of the carboxy group of henicosanoic 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 C45H85NO8
Net Charge 0
Average Mass 768.160
Monoisotopic Mass 767.62752
InChI InChI=1S/C45H85NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-41(49)46-38(37-53-45-44(52)43(51)42(50)40(36-47)54-45)39(48)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h8,10,32,34,38-40,42-45,47-48,50-52H,3-7,9,11-31,33,35-37H2,1-2H3,(H,46,49)/b10-8-,34-32+/t38-,39+,40+,42+,43-,44+,45+/m0/s1
InChIKey HPXKQDNHZNVSHF-PXHKRALTSA-N
SMILES [C@H]([C@@H](/C=C/CCCCCCCC/C=C\CCC)O)(NC(CCCCCCCCCCCCCCCCCCCC)=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-henicosanoyl-(4E,14Z)-sphingadienine (CHEBI:132458) has functional parent henicosanoic acid (CHEBI:39248)
β-D-glucosyl-(1↔1ʼ)-N-henicosanoyl-(4E,14Z)-sphingadienine (CHEBI:132458) has functional parent sphinga-4E,14Z-dienine (CHEBI:73889)
β-D-glucosyl-(1↔1ʼ)-N-henicosanoyl-(4E,14Z)-sphingadienine (CHEBI:132458) has role marine metabolite (CHEBI:76507)
β-D-glucosyl-(1↔1ʼ)-N-henicosanoyl-(4E,14Z)-sphingadienine (CHEBI:132458) 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]henicosanamide
Synonyms Sources
β-D-glucosyl-(1↔1ʼ)-N-heneicosanoyl-(4E,14Z)-sphingadienine ChEBI
GlcCer(d18:2/21:0) LIPID MAPS
N-(heneicosanoyl)-1-β-galactosyl-4E,14Z-sphingadienine LIPID MAPS
Manual Xref Database
LMSP0501AA36 LIPID MAPS
View more database links
Citation Waiting for Citations Type Source
26364855 PubMed citation Europe PMC
Last Modified
13 January 2017