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CHEBI:65140 - α-D-GlcNAc-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl-(1→3)-L-Ser
| Formula | C48H77N3O39 |
| Net Charge | 0 |
| Average Mass | 1320.126 |
| Monoisotopic Mass | 1319.41342 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](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](CO)O[C@@H](O[C@@H]5CO[C@@H](OC[C@H](N)C(=O)O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@@H]1O |
| InChI | InChI=1S/C48H77N3O39/c1-9(56)50-17-23(62)19(58)12(3-52)79-42(17)87-35-25(64)28(67)45(89-37(35)40(73)74)84-32-15(6-55)82-43(18(24(32)63)51-10(2)57)88-36-26(65)29(68)46(90-38(36)41(75)76)85-34-22(61)14(5-54)81-48(31(34)70)86-33-21(60)13(4-53)80-47(30(33)69)83-16-8-78-44(27(66)20(16)59)77-7-11(49)39(71)72/h11-38,42-48,52-55,58-70H,3-8,49H2,1-2H3,(H,50,56)(H,51,57)(H,71,72)(H,73,74)(H,75,76)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-,42+,43+,44+,45+,46+,47-,48-/m0/s1 |
| InChIKey | ASSJVPACSYYHOZ-PVQABIFQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-GlcNAc-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl-(1→3)-L-Ser (CHEBI:65140) has role mouse metabolite (CHEBI:75771) |
| α-D-GlcNAc-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl-(1→3)-L-Ser (CHEBI:65140) is a O-glycosyl-L-serine (CHEBI:21957) |
| α-D-GlcNAc-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl-(1→3)-L-Ser (CHEBI:65140) is a non-proteinogenic L-α-amino acid (CHEBI:83822) |
| IUPAC Name |
|---|
| (2S)-3-{[2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-β-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-xylopyranosyl]oxy}-2-aminopropanoic acid |
| Synonyms | Source |
|---|---|
| (Gal)2 (GlcA)2 (GlcNAc)2 (Xyl)1 (Ser)1 | KEGG GLYCAN |
| α-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→3)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Xylp-(1→3)-L-Ser | ChEBI |
| 3-O-[2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-β-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-xylopyranosyl]-L-serine | ChEBI |
| N-acetyl-α-D-glucosaminyl-(1→4)-β-D-glucuronosyl-(1→4)-N-acetyl-α-D-glucosaminyl-(1→4)-β-D-glucuronosyl-(1→3)-β-D-galactosyl-(1→3)-β-D-galactosyl-(1→4)-β-D-xylosyl-(1→3)-L-serine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| G00164 | KEGG GLYCAN |