CHEBI:41539 - 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine
ChEBI ID CHEBI:41539
ChEBI ASCII Name 1-(3-O-sulfo-beta-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine
Definition An N-acyl-β-D-galactosylsphingosine having a sulfo group at the 3-position on the galactose ring and (15Z)-tetracos-15-enoyl as the N-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:59538
Supplier Information
Download Molfile XML SDF
Formula C48H91NO11S
Net Charge 0
Average Mass 890.30100
Monoisotopic Mass 889.63128
InChI InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1
InChIKey ZZQWQNAZXFNSEP-JCOQVFCVSA-N
SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC
Roles Classification
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via galactosylceramide sulfate )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via N-acyl-beta-D-galactosylsphingosine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539) has role epitope (CHEBI:53000)
1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539) is a galactosylceramide sulfate (CHEBI:18318)
1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539) is conjugate acid of 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1−) (CHEBI:139139)
Incoming 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1−) (CHEBI:139139) is conjugate base of 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539)
IUPAC Name
(15Z)-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]octadec-4-en-2-yl}tetracos-15-enamide
Synonyms Sources
(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE PDBeChem
(2S,3R,4E)-N-NERVONIC-1-[BETA-D-(3-SULFATE)-GALACTOPYRANOSYL]-2-AMINO-OCTADECENE-3-OL CIS-TETRACOSENOYL SULFATIDE PDBeChem
(3'-sulfo)Galβ-Cer(d18:1/24:1(15Z)) LIPID MAPS
3-O-sulfo-D-galactosyl-β1-1'-N-nervonoyl-D-erythro-sphingosine ChEBI
3-O-Sulfogalactosylceramide (d18:1/24:1(15Z)) HMDB
C24:1 mono-sulfo galactosyl(β) ceramide (d18:1/24:1) ChEBI
C24:1 Sulfatide LIPID MAPS
sulfatide C24:1 ChEBI
Manual Xrefs Databases
2AKR PDB
CIS PDBeChem
HMDB0012318 HMDB
LMSP06020015 LIPID MAPS
View more database links
Citations Waiting for Citations Types Sources
16314439 PubMed citation Europe PMC
20519644 PubMed citation Europe PMC
22820602 PubMed citation Europe PMC
25642819 PubMed citation Europe PMC
Last Modified
20 December 2016