Terminology Service for NFDI4Health
alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acetylsphingosine
Go to external page
http://purl.obolibrary.org/obo/CHEBI_145327
alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group is acetyl. Ganglioside GM1 with an acetyl group substituting for the long fatty acid typicalof ceramide.
Term info
Label
alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acetylsphingosine
Synonyms
- (2S,3R,4E)-2-acetamido-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
Subsets
3_STAR
IUPAC NAME
(2S,3R,4E)-2-acetamido-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
[
IUPAC
]
charge
0
formula
C57H99N3O31
has obo namespace
chebi_ontology
has related synonym
ganglioside GM1-acetyl, beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-N-AcSph, GM1-acetyl, beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-N-AcSph
id
CHEBI:145327
inchi
InChI=1S/C57H99N3O31/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30(69)29(58-26(2)66)25-82-53-45(78)43(76)47(35(23-64)85-53)87-55-46(79)51(91-57(56(80)81)19-31(70)37(59-27(3)67)50(90-57)39(72)32(71)20-61)48(36(24-65)86-55)88-52-38(60-28(4)68)49(41(74)34(22-63)83-52)89-54-44(77)42(75)40(73)33(21-62)84-54/h17-18,29-55,61-65,69-79H,5-16,19-25H2,1-4H3,(H,58,66)(H,59,67)(H,60,68)(H,80,81)/b18-17+/t29-,30+,31-,32+,33+,34+,35+,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47+,48-,49+,50+,51+,52-,53+,54-,55-,57-/m0/s1
inchikey
PGUYIHLFQOCHKH-FLPQJDCLSA-N
mass
1322.409
monoisotopicmass
1321.62625
smiles
O([C@@H]1[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(C)=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)C(=O)O)O