alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-beta-Gal-(1->4)-beta-Glc-(1<->1')-N-stearoylsphingosine (CHEBI:60747)

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CHEBI:60747 - α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-β-Gal-(1→4)-β-Glc-(1↔1')-N-stearoylsphingosine

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ChEBI ID	CHEBI:60747
ChEBI Name	α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-β-Gal-(1→4)-β-Glc-(1↔1')-N-stearoylsphingosine
Stars
ASCII Name	alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-beta-Gal-(1->4)-beta-Glc-(1<->1')-N-stearoylsphingosine
Definition	A sialotetraosylceramide consisting of a linear pentasaccharide made up from one sialyl residues, two galactose residues, one N-acetylglucosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a β-linkage.
Last Modified	29 November 2010
Submitter	Steve
Downloads	Molfile

Formula	C73H131N3O31
Net Charge	0
Average Mass	1546.841
Monoisotopic Mass	1545.87665
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)O[C@@H]5CO)O[C@@H]4CO)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChI	InChI=1S/C73H131N3O31/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)41-98-69-60(93)58(91)64(50(39-80)101-69)104-70-61(94)59(92)63(51(40-81)102-70)103-68-54(75-43(4)83)65(56(89)48(37-78)99-68)105-71-62(95)67(57(90)49(38-79)100-71)107-73(72(96)97)35-46(85)53(74-42(3)82)66(106-73)55(88)47(86)36-77/h31,33,44-51,53-71,77-81,84-86,88-95H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)(H,96,97)/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	AICHOOINPKHZMM-VGONFTRFSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-β-Gal-(1→4)-β-Glc-(1↔1')-N-stearoylsphingosine (CHEBI:60747) 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

Synonym	Source
α-Neu5Ac-(2→3)-β-Galp-(1→3)-β-GalpNAc-(1→4)-β-Galp-(1→4)-β-Glcp-(1↔1')-N-stearoylsphingosine	ChEBI

Registry Numbers	Sources
Reaxys:5327003	Reaxys

Citations