PCM 2476 oligosaccharide (CHEBI:59232)

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CHEBI:59232 - PCM 2476 oligosaccharide

ChEBI ID	CHEBI:59232
ChEBI Name	PCM 2476 oligosaccharide
Stars
Definition	The eleven-membered core polysaccharide derivitive from Yokenella regensburgei strain PCM 2476.
Last Modified	13 September 2016
Submitter	Steve
Downloads	Molfile

Formula	C72H119NO63
Net Charge	0
Average Mass	2006.688
Monoisotopic Mass	2005.61387
SMILES	[H][C@]1([C@H](O)CO)O[C@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](OC[C@H](O)[C@@]4([H])O[C@H](O[C@@H]5[C@H](O)[C@@H](O[C@H]6[C@H](O)C[C@](O)(C(=O)O)O[C@]6([H])[C@H](O)CO)O[C@]([H])([C@@H](O)CO)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H](O)[C@@H]4O)O[C@]([H])([C@H](O)CO[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](C(=O)O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3N)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C72H119NO63/c73-21-25(89)51(128-66-38(102)28(92)24(88)20(122-66)10-118-62-35(99)26(90)22(86)17(5-77)119-62)19(7-79)121-61(21)130-53-42(106)56(133-68-40(104)29(93)32(96)45(124-68)12(81)2-74)70(135-58(53)60(111)112)129-52-41(105)47(16(85)9-116-63-36(100)31(95)34(98)55(132-63)59(109)110)123-64(43(52)107)117-8-15(84)46-33(97)30(94)39(103)67(125-46)131-54-44(108)69(126-48-11(80)1-72(115,71(113)114)136-50(48)14(83)4-76)127-49(13(82)3-75)57(54)134-65-37(101)27(91)23(87)18(6-78)120-65/h11-58,61-70,74-108,115H,1-10,73H2,(H,109,110)(H,111,112)(H,113,114)/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-,39+,40+,41-,42+,43+,44+,45-,46-,47-,48+,49-,50-,51-,52+,53-,54-,55+,56-,57-,58+,61-,62+,63-,64+,65+,66-,67-,68-,69+,70-,72-/m1/s1
InChIKey	GDMSQBJBTLPLHL-XLWDNPENSA-N

ChEBI Ontology

Outgoing Relation(s)
	PCM 2476 oligosaccharide (CHEBI:59232) is a polysaccharide derivative (CHEBI:65212)

IUPAC Name
β-D-galactopyranuronosyl-(1→7)-[α-D-glucopyranosyl-(1→6)-α-D-glucopyranosyl-(1→4)-2-amino-2-deoxy-α-D-glucopyranosyl-(1→4)-[D-glycero-α-D-manno-heptopyranosyl-(1→2)]-β-D-galactopyranuronosyl-(1→3)]-D-glycero-α-D-manno-heptopyranosyl-(1→7)-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)-3-deoxy-α-D-altro-oct-2-ulopyranosonic acid

IUPAC Name

β-D-galactopyranuronosyl-(1→7)-[α-D-glucopyranosyl-(1→6)-α-D-glucopyranosyl-(1→4)-2-amino-2-deoxy-α-D-glucopyranosyl-(1→4)-[D-glycero-α-D-manno-heptopyranosyl-(1→2)]-β-D-galactopyranuronosyl-(1→3)]-D-glycero-α-D-manno-heptopyranosyl-(1→7)-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)-3-deoxy-α-D-altro-oct-2-ulopyranosonic acid

Synonyms	Source
α-D-Glcp-(1→6)-α-D-Glcp-(1→4)-α-D-GlcpN-(1→4)-[D-glycero-α-D-manno-Hepp-(1→2)]-α-D-GalpA-(1→3)-[β-D-GalpA-(1→7)-L-glycero-α-D-manno-Hepp-(1→7)]-L-glycero-α-D-manno-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-glycero-α-D-manno-Hepp-(1→5)-Kdo	IUPAC
β-D-galacturonosyl-(1→7)-[α-D-glucosyl-(1→6)-α-D-glucosyl-(1→4)-α-D-glucosaminyl-(1→4)-[D-glycero-α-D-manno-heptosyl-(1→2)]-β-D-galacturonosyl-(1→3)]-D-glycero-α-D-manno-heptosyl-(1→7)-L-glycero-α-D-manno-heptosyl-(1→3)-[β-D-glucosyl-(1→4)]-L-glycero-α-D-manno-heptosyl-(1→5)-3-deoxy-α-D-altro-oct-2-ulosonic acid	ChEBI
α-D-Glc-(1→6)-α-D-Glc-(1→4)-α-D-GlcN-(1→4)-[D-glycero-α-D-manno-Hep-(1→2)]-α-D-GalA-(1→3)-[β-D-GalA-(1→7)-L-glycero-α-D-manno-Hep-(1→7)]-L-glycero-α-D-manno-Hep-(1→3)-[β-D-Glc-(1→4)]-L-glycero-α-D-manno-Hep-(1→5)-Kdo	ChEBI
Glcα1-6Glcα1-4GlcNα1-4(Hepα1-2)GalAβ1-3(GalAβ1-7Hepα1-7)Hepα1-3(Glcβ1-4)Hepα1-5Kdo	ChEBI

Citations