alpha-Neu5Ac-(2->3)-[beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-N-stearoylsphingosine 1(II'),2(II) lactone (CHEBI:141641)

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CHEBI:141641 - α-Neu5Ac-(2→3)-[β-D-Gal-(1→3)-β-D-GalNAc-(1→4)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-stearoylsphingosine 1^II',2^II lactone

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ChEBI ID	CHEBI:141641
ChEBI Name	α-Neu5Ac-(2→3)-[β-D-Gal-(1→3)-β-D-GalNAc-(1→4)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-stearoylsphingosine 1^II',2^II lactone
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ASCII Name	alpha-Neu5Ac-(2->3)-[beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-N-stearoylsphingosine 1(II'),2(II) lactone
Definition	A sialotetraosylceramide consisting of the disialoganglioside G_M1 with a lactone ring formed between C-1 of the NeuNac residue and C-2 of the galactose residue proximal to the ceramide moiety.
Last Modified	16 August 2018
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C73H129N3O30
Net Charge	0
Average Mass	1528.826
Monoisotopic Mass	1527.86609
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@]2(C[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@@H](CO)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)[C@@H]1OC2=O
InChI	InChI=1S/C73H129N3O30/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-96-69-61(94)59(92)62(50(39-80)99-69)101-71-67-66(106-73(72(95)104-67)35-46(85)53(74-42(3)82)65(105-73)55(88)47(86)36-77)63(51(40-81)100-71)102-68-54(75-43(4)83)64(57(90)49(38-79)97-68)103-70-60(93)58(91)56(89)48(37-78)98-70/h31,33,44-51,53-71,77-81,84-86,88-94H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)/b33-31+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63-,64+,65+,66-,67+,68-,69+,70-,71-,73-/m0/s1
InChIKey	WVHBJHLTCHODOA-MYYVOHNDSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-Neu5Ac-(2→3)-[β-D-Gal-(1→3)-β-D-GalNAc-(1→4)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-stearoylsphingosine 1^II',2^II lactone (CHEBI:141641) has functional parent ganglioside GM1 (CHEBI:61048)
	α-Neu5Ac-(2→3)-[β-D-Gal-(1→3)-β-D-GalNAc-(1→4)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-stearoylsphingosine 1^II',2^II lactone (CHEBI:141641) is a lactone (CHEBI:25000)
	α-Neu5Ac-(2→3)-[β-D-Gal-(1→3)-β-D-GalNAc-(1→4)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-N-stearoylsphingosine 1^II',2^II lactone (CHEBI:141641) is a sialotetraosylceramide (CHEBI:36543)

IUPAC Name
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside 1^II',2^II lactone

Synonyms	Source
ganglioside G_M1 1^II',2^II lactone	ChEBI
β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3,1→2)]-β-D-Galp-(1→4)-β-D-Glc-(1-↔1)-N-stearoylsphingosine	JCBN
β-D-Gal-(1,3)-β-D-GalNAc-(1-4)-[α-Neu5Ac-(2-3,1-2)]-β-D-Gal-(1-4)-β-D-Glc-(1-1)-Cer	ChEBI
ganglioside GM1 1^II',2^II lactone	ChEBI
ganglioside G_M1 lactone	ChEBI
G_M1 lactone	ChEBI

Citations