Terminology Service for NFDI4Health
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N-[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosyl-(2->3)-[beta-D-galactosyl-(1->3)-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-D-glucosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide

Go to external page http://purl.obolibrary.org/obo/CHEBI_145337

A ganglioside derivative that is gangliosde GM1 in which the sialic acid residue contains CH2OH instead of COOH.

Term info

Label

N-[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosyl-(2->3)-[beta-D-galactosyl-(1->3)-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-D-glucosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide

Synonyms
  • N-[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1beta4)-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1beta4)-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide [ IUPAC ]

charge

0

formula

C73H133N3O30

has obo namespace

chebi_ontology

has related synonym

GM1-alcohol

id

CHEBI:145337

inchi

InChI=1S/C73H133N3O30/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-53(88)76-45(46(85)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-97-70-62(95)60(93)64(51(39-80)100-70)102-72-63(96)68(106-73(42-82)35-47(86)54(74-43(3)83)67(105-73)56(89)48(87)36-77)65(52(40-81)101-72)103-69-55(75-44(4)84)66(58(91)50(38-79)98-69)104-71-61(94)59(92)57(90)49(37-78)99-71/h31,33,45-52,54-72,77-82,85-87,89-96H,5-30,32,34-42H2,1-4H3,(H,74,83)(H,75,84)(H,76,88)/b33-31+/t45-,46+,47-,48+,49+,50+,51+,52+,54+,55+,56+,57-,58-,59-,60+,61+,62+,63+,64+,65-,66+,67+,68+,69-,70+,71-,72-,73-/m0/s1

inchikey

JXSVJXYXGSVLBX-JFOWMLKRSA-N

mass

1532.858

monoisotopicmass

1531.89739

smiles

O([C@@H]1[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@H]1O)O)CO)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(C)=O)O[C@@]5(C[C@@H]([C@H]([C@@](O5)([C@@H]([C@@H](CO)O)O)[H])NC(C)=O)O)CO)O