CHEBI:59232 - PCM 2476 oligosaccharide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name PCM 2476 oligosaccharide
ChEBI ID CHEBI:59232
Definition The eleven-membered core polysaccharide derivitive from Yokenella regensburgei strain PCM 2476.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C72H119NO63
Net Charge 0
Average Mass 2006.68420
Monoisotopic Mass 2005.61387
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
SMILES [H][C@@]1(O[C@H](O[C@@H]2[C@@H](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](O[C@H]2O[C@@H]2[C@H](O)[C@@H](OC[C@H](O)[C@@]3([H])O[C@H](O[C@@H]4[C@H](O)[C@@H](O[C@H]5[C@H](O)C[C@@](O)(O[C@]5([H])[C@H](O)CO)C(O)=O)O[C@]([H])([C@@H](O)CO)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@]([H])([C@H](O)CO[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2O)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO
ChEBI Ontology
Outgoing 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
Synonyms Sources
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
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
Glcα1-6Glcα1-4GlcNα1-4(Hepα1-2)GalAβ1-3(GalAβ1-7Hepα1-7)Hepα1-3(Glcβ1-4)Hepα1-5Kdo ChEBI
Citation Waiting for Citations Type Source
19880424 PubMed citation Europe PMC
Last Modified
13 September 2016