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 (CHEBI:145337)

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CHEBI:145337 - N-[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulosyl-(2→3)-[β-D-galactosyl-(1→3)-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-D-glucosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide

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ChEBI ID	CHEBI:145337
ChEBI Name	N-[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulosyl-(2→3)-[β-D-galactosyl-(1→3)-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-D-glucosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide
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ASCII Name	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
Definition	A ganglioside derivative that is gangliosde GM1 in which the sialic acid residue contains CH₂OH instead of COOH.
Last Modified	11 November 2019
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C73H133N3O30
Net Charge	0
Average Mass	1532.858
Monoisotopic Mass	1531.89739
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@](CO)(O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)O[C@@H]3CO)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)C[C@H](O)[C@H]1NC(C)=O
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

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulosyl-(2→3)-[β-D-galactosyl-(1→3)-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-D-glucosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide (CHEBI:145337) has functional parent ganglioside GM1 (CHEBI:61048)
	N-[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulosyl-(2→3)-[β-D-galactosyl-(1→3)-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-D-glucosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide (CHEBI:145337) is a ganglioside derivative (CHEBI:63535)

IUPAC Name
N-[(2S,3R,4E)-1-{[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosyl-(2→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1β4)-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide

Synonym	Source
GM1-alcohol	ChEBI

Citations