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N-(docosanoyl)-1-(2',3',4',6'-tetraacetylbeta-D-galactosyl)-3-acetylsphingosine

Go to external page http://purl.obolibrary.org/obo/CHEBI_136366

A glycosylceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of 1-(2',3',4',6'-tetraacetylbeta-D-galactosyl)-3-acetylsphingosine.

Term info

Label

N-(docosanoyl)-1-(2',3',4',6'-tetraacetylbeta-D-galactosyl)-3-acetylsphingosine

Synonyms
  • (2S,3R,4E)-2-(docosanoylamino)-1-[(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)oxy]octadec-4-en-3-yl acetate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S,3R,4E)-2-(docosanoylamino)-1-[(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)oxy]octadec-4-en-3-yl acetate [ IUPAC ]

charge

0

formula

C56H99NO13

has obo namespace

chebi_ontology

has related synonym

N-(docosanoyl)-1-(2',3',4',6'-tetraacetylbeta-D-galactosyl)-3-acetylsphing-4-enine, 3-O-acetyl-sphingosine-2,3,4,6-tetra-O-acetyl-GalCer(d18:1/22:0), 2,3,4,6-beta-tetraacetyl-D-galactosyl-N-(docosanoyl)-3-acetylsphingosine, N-(docosanoyl)-1-beta-(2',3',4',6'-tetra-O-acetyl-galactosyl)-3-O-acetyl-sphing-4-enine, 2,3,4,6-beta-tetraacetyl-D-galactosyl-N-(docosanoyl)-3-acetylsphing-4-enine, FMC-5(d18:1/22:0)

id

CHEBI:136366

inchi

InChI=1S/C56H99NO13/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-52(63)57-49(50(66-45(4)59)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)42-65-56-55(69-48(7)62)54(68-47(6)61)53(67-46(5)60)51(70-56)43-64-44(3)58/h38,40,49-51,53-56H,8-37,39,41-43H2,1-7H3,(H,57,63)/b40-38+/t49-,50+,51+,53-,54-,55+,56+/m0/s1

inchikey

BDPASYIZEHXBLJ-SLYLSTMUSA-N

mass

994.386

monoisotopicmass

993.71164

smiles

N([C@@H](CO[C@H]1[C@@H]([C@@H](OC(=O)C)[C@H]([C@@H](COC(=O)C)O1)OC(=O)C)OC(=O)C)[C@H](OC(=O)C)/C=C/CCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCCCCCCC)=O