alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-2,5-anhydro-D-Man (CHEBI:137240)

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CHEBI:137240 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-2,5-anhydro-D-Man

ChEBI ID	CHEBI:137240
ChEBI Name	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-2,5-anhydro-D-Man
Stars
ASCII Name	alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-2,5-anhydro-D-Man
Definition	A branched amino pentadecasaccharide comprising β-D-galactosyl, β-D-glucosyl and 2,5-anydro-D-mannose residues linked sequentially (1→4) and (1→6), to the galactosyl residue of which are linked (1→3) two units of β-D-Gal-(1→4)-β-D-Glc-(1→6)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)]-β-D-GlcNAc themselves linked (1→3). Obtained by depolymerisation of the group B Streptococcus (GBS) type III capsular polysaccharide during which process the 2,5-anhydro-D-mannose residue is formed from the original reducing-end N-acetyl-glucosaminyl residue (PMID:28439022).
Last Modified	31 May 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C109H177N5O84
Net Charge	0
Average Mass	2901.566
Monoisotopic Mass	2899.97323
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](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](OC[C@H]6O[C@@H](O[C@H]7[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](OC[C@H]9O[C@H](C=O)[C@@H](O)[C@@H]9O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O[C@]%10(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O%10)[C@H]9O)O[C@@H]8CO)[C@@H]7O)[C@H](NC(C)=O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O7)[C@H]6O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChI	InChI=1S/C109H177N5O84/c1-25(128)110-49-30(133)6-107(104(164)165,193-85(49)54(139)33(136)9-115)196-90-61(146)40(16-122)177-101(76(90)161)188-82-46(173-37(13-119)58(82)143)22-170-95-72(157)68(153)80(44(20-126)181-95)186-99-74(159)88(59(144)38(14-120)175-99)191-94-53(114-29(5)132)65(150)84(190-103-78(163)92(63(148)42(18-124)179-103)198-109(106(168)169)8-32(135)51(112-27(3)130)87(195-109)56(141)35(138)11-117)48(184-94)24-172-97-73(158)69(154)81(45(21-127)182-97)187-100-75(160)89(60(145)39(15-121)176-100)192-93-52(113-28(4)131)64(149)83(47(183-93)23-171-96-71(156)67(152)79(43(19-125)180-96)185-98-70(155)66(151)57(142)36(12-118)174-98)189-102-77(162)91(62(147)41(17-123)178-102)197-108(105(166)167)7-31(134)50(111-26(2)129)86(194-108)55(140)34(137)10-116/h13,30-103,115-118,120-127,133-163H,6-12,14-24H2,1-5H3,(H,110,128)(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,164,165)(H,166,167)(H,168,169)/t30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-,58+,59-,60-,61-,62-,63-,64+,65+,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88-,89-,90-,91-,92-,93-,94-,95+,96+,97+,98-,99-,100-,101-,102-,103-,107-,108-,109-/m0/s1
InChIKey	MZDGDZQQPSDMHE-NMOAPWMOSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-2,5-anhydro-D-Man (CHEBI:137240) is a amino oligosaccharide (CHEBI:22483)

IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2,5-anhydro-D-mannose

IUPAC Name

5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2,5-anhydro-D-mannose

Synonyms	Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-Neu5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[β-D-Gal-(1→4)-β-D-Glc-(1→6)]-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→6)]-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→6)]-2,5-anhydro-D-Man	ChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-[β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)]-2,5-anhydro-D-mannose	ChEBI

Synonyms

Source

α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-Neu5Ac-(2→3)-β-D-Galp-(1→4)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[β-D-Gal-(1→4)-β-D-Glc-(1→6)]-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→6)]-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→6)]-2,5-anhydro-D-Man

ChEBI

N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-[β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)]-2,5-anhydro-D-mannose

ChEBI

Citations