1-O-(alpha-D-galactopyranuronosyl)-N-tetradecanoyldihydrosphingosine (CHEBI:528825)

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CHEBI:528825 - 1-O-(α-D-galactopyranuronosyl)-N-tetradecanoyldihydrosphingosine

ChEBI ID	CHEBI:528825
ChEBI Name	1-O-(α-D-galactopyranuronosyl)-N-tetradecanoyldihydrosphingosine
Stars
ASCII Name	1-O-(alpha-D-galactopyranuronosyl)-N-tetradecanoyldihydrosphingosine
Definition	A glycodihydroceramide having an α-D-galacturonic acid residue at the O-1 position and a tetradecanoyl group attached to the nitrogen.
Secondary ChEBI IDs	CHEBI:42910, CHEBI:60452
Last Modified	26 February 2018
Submitter	Steve
Downloads	Molfile

Formula	C38H73NO9
Net Charge	0
Average Mass	688.000
Monoisotopic Mass	687.52853
SMILES	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC
InChI	InChI=1S/C38H73NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(40)30(29-47-38-35(44)33(42)34(43)36(48-38)37(45)46)39-32(41)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,33-36,38,40,42-44H,3-29H2,1-2H3,(H,39,41)(H,45,46)/t30-,31+,33-,34+,35+,36-,38-/m0/s1
InChIKey	IRPOZWRRAFKYMQ-LMIAXWKISA-N

Roles Classification

Biological Roles:

antigen Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).

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.

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	1-O-(α-D-galactopyranuronosyl)-N-tetradecanoyldihydrosphingosine (CHEBI:528825) has role antigen (CHEBI:59132)
	1-O-(α-D-galactopyranuronosyl)-N-tetradecanoyldihydrosphingosine (CHEBI:528825) has role epitope (CHEBI:53000)
	1-O-(α-D-galactopyranuronosyl)-N-tetradecanoyldihydrosphingosine (CHEBI:528825) is a glycodihydroceramide (CHEBI:60451)

IUPAC Name
(2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadecyl α-D-galactopyranosiduronic acid

Synonyms	Source
GalA-GSL	ChEBI
GSL-1	ChEBI

Manual Xrefs	Databases
GSL	PDBeChem

Registry Numbers	Sources
Beilstein:10232866	Beilstein
Reaxys:10232866	Reaxys

Citations