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CHEBI:146104 - α-L-Fucp-(1→3)-[β-D-Galp6S-(1→4)-β-D-GlcpNAc 6S-(1→3)-β-D-Galp-(1→4)]-D-Glc-OH 2NAc 6S

ChEBI IDCHEBI:146104
ChEBI Nameα-L-Fucp-(1→3)-[β-D-Galp6S-(1→4)-β-D-GlcpNAc 6S-(1→3)-β-D-Galp-(1→4)]-D-Glc-OH 2NAc 6S
Stars
ASCII Namealpha-L-Fucp-(1->3)-[beta-D-Galp6S-(1->4)-beta-D-GlcpNAc 6S-(1->3)-beta-D-Galp-(1->4)]-D-Glc-OH 2NAc 6S
DefinitionAn amino pentasaccharide that is 2-acetamido-2-deoxy-6-O-sulfo-D-glucitol which has been glycosylated at positions 3 and 4 by 6-deoxy-α-L-galactopyranosyl and 6-O-sulfo-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl groups, respectively.
Last Modified24 February 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H60N2O34S3
Net Charge0
Average Mass1137.035
Monoisotopic Mass1136.21896
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](CO)NC(C)=O)[C@H](O)COS(=O)(=O)O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/5,5,4/[h2122h_2*NCC/3=O_6*OSO/3=O/3=O][a1221m-1a_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O]/1-2-3-4-5/a3-b1_a4-c1_c3-d1_d4-e1
InChIInChI=1S/C34H60N2O34S3/c1-9-18(42)22(46)24(48)32(63-9)67-27(12(4-37)35-10(2)39)28(13(41)6-60-71(51,52)53)68-34-26(50)30(20(44)14(5-38)64-34)70-31-17(36-11(3)40)21(45)29(16(66-31)8-62-73(57,58)59)69-33-25(49)23(47)19(43)15(65-33)7-61-72(54,55)56/h9,12-34,37-38,41-50H,4-8H2,1-3H3,(H,35,39)(H,36,40)(H,51,52,53)(H,54,55,56)(H,57,58,59)/t9-,12-,13+,14+,15+,16+,17+,18+,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34-/m0/s1
InChIKeyONHQFRFLOBDJNM-XIAUKHJSSA-N
ChEBI Ontology
Outgoing Relation(s)
α-L-Fucp-(1→3)-[β-D-Galp6S-(1→4)-β-D-GlcpNAc 6S-(1→3)-β-D-Galp-(1→4)]-D-Glc-OH 2NAc 6S (CHEBI:146104) is a acetamides (CHEBI:22160)
α-L-Fucp-(1→3)-[β-D-Galp6S-(1→4)-β-D-GlcpNAc 6S-(1→3)-β-D-Galp-(1→4)]-D-Glc-OH 2NAc 6S (CHEBI:146104) is a amino pentasaccharide (CHEBI:59268)
α-L-Fucp-(1→3)-[β-D-Galp6S-(1→4)-β-D-GlcpNAc 6S-(1→3)-β-D-Galp-(1→4)]-D-Glc-OH 2NAc 6S (CHEBI:146104) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
6-deoxy-α-L-galactopyranosyl-(1→3)-[6-O-sulfo-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-6-O-sulfo-D-glucitol
Synonym  Source
[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-5-acetamido-2,6-dihydroxy-1-sulfooxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfateIUPAC
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