CHEBI:132453 - β-D-galactosyl-(1↔1ʼ)-N-(docosanoyl)hexadecasphingosine

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ChEBI Name β-D-galactosyl-(1↔1ʼ)-N-(docosanoyl)hexadecasphingosine
ChEBI ID CHEBI:132453
ChEBI ASCII Name beta-D-galactosyl-(1<->1')-N-(docosanoyl)hexadecasphingosine
Definition A galactosylceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of β-D-galactosyl-(1↔1ʼ)-hexadecasphingosine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H85NO8
Net Charge 0
Average Mass 756.149
Monoisotopic Mass 755.62752
InChI InChI=1S/C44H85NO8/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-14-12-10-8-6-4-2/h31,33,37-39,41-44,46-47,49-51H,3-30,32,34-36H2,1-2H3,(H,45,48)/b33-31+/t37-,38+,39+,41-,42-,43+,44+/m0/s1
InChIKey IRYUYISTIPWPQG-PWUIYKNCSA-N
SMILES [C@H]([C@@H](/C=C/CCCCCCCCCCC)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: PubMed
Calanus helgolandicus (NCBI:txid114068) See: MetaboLights Study
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-galactosyl-(1↔1ʼ)-N-(docosanoyl)hexadecasphingosine (CHEBI:132453) has functional parent docosanoic acid (CHEBI:28941)
β-D-galactosyl-(1↔1ʼ)-N-(docosanoyl)hexadecasphingosine (CHEBI:132453) has functional parent hexadecasphing-4-enine (CHEBI:71052)
β-D-galactosyl-(1↔1ʼ)-N-(docosanoyl)hexadecasphingosine (CHEBI:132453) has role marine metabolite (CHEBI:76507)
β-D-galactosyl-(1↔1ʼ)-N-(docosanoyl)hexadecasphingosine (CHEBI:132453) is a galactosylceramide (CHEBI:36498)
IUPAC Name
N-[(2S,3R,4E)-1-(β-D-galactopyranosyloxy)-3-hydroxyhexadec-4-en-2-yl]docosanamide
Synonyms Sources
β-D-galactosyl-(1↔1ʼ)-N-(docosanoyl)hexadecasphing-4-enine ChEBI
GalCer(d16:1/22:0) LIPID MAPS
N-(docosanoyl)-1-β-galactosyl-hexadecasphing-4-enine LIPID MAPS
Manual Xref Database
LMSP0501AC09 LIPID MAPS
View more database links
Citation Waiting for Citations Type Source
26364855 PubMed citation Europe PMC
Last Modified
12 January 2017