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CHEBI:136356 - α-D-GalN-(1→4)-[α-LD-Hep-(1→2)-α-DD-Hep-(1→2)]-α-D-GalA-(1→3)-[α-LD-Hep-(1→7)]-α-LD-Hep6PEtn-(1→3)-[β-D-Glc-(1→4)]-α-LD-Hep-(1→5)-[α-Kdo-(2→4)][β-L-Arap4N-(1→8)]-α-Kdo

ChEBI IDCHEBI:136356
ChEBI Nameα-D-GalN-(1→4)-[α-LD-Hep-(1→2)-α-DD-Hep-(1→2)]-α-D-GalA-(1→3)-[α-LD-Hep-(1→7)]-α-LD-Hep6PEtn-(1→3)-[β-D-Glc-(1→4)]-α-LD-Hep-(1→5)-[α-Kdo-(2→4)][β-L-Arap4N-(1→8)]-α-Kdo
Stars
ASCII Namealpha-D-GalN-(1->4)-[alpha-LD-Hep-(1->2)-alpha-DD-Hep-(1->2)]-alpha-D-GalA-(1->3)-[alpha-LD-Hep-(1->7)]-alpha-LD-Hep6PEtn-(1->3)-[beta-D-Glc-(1->4)]-alpha-LD-Hep-(1->5)-[alpha-Kdo-(2->4)][beta-L-Arap4N-(1->8)]-alpha-Kdo
DefinitionAn oligosaccharide derivative that is a undecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 13 lipopolysaccharide (LPS) core region. Structural variations can occur: the α-LD-Hep substituent linked (1→7) to α-LD-Hep6PEtn may be further substituted (1→7) by a β-D-GalAN residue; if so, then the [α-LD-Hep-(1→2)-α-DD-Hep branch linked (1→2) to α-D-GalA may be absent.
Last Modified1 March 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC76H130N3O66P
Net Charge0
Average Mass2172.805
Monoisotopic Mass2171.66460
SMILES[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](O)(C(=O)O)O[C@]([H])([C@H](O)CO[C@H]3OC[C@H](N)[C@H](O)[C@H]3O)[C@@H]2O[C@H]2O[C@]([H])([C@@H](O)CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@H]3O[C@]([H])([C@H](CO[C@H]4O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)OP(=O)(O)OCCN)[C@@H](O)[C@H](O[C@H]4O[C@H](C(=O)O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5N)[C@H](O)[C@H]4O[C@H]4O[C@]([H])([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C76H130N3O66P/c77-1-2-126-146(121,122)145-26(14-125-66-41(107)34(100)36(102)48(129-66)17(88)5-80)54-44(110)56(135-72-60(45(111)57(62(141-72)63(114)115)136-64-27(79)32(98)30(96)24(10-85)127-64)139-71-59(39(105)38(104)50(131-71)19(90)7-82)138-68-43(109)35(101)37(103)49(130-68)18(89)6-81)46(112)69(133-54)137-58-47(113)70(132-52(21(92)9-84)61(58)140-67-42(108)33(99)31(97)25(11-86)128-67)134-55-23(142-76(74(118)119)3-16(87)29(95)51(144-76)20(91)8-83)4-75(120,73(116)117)143-53(55)22(93)13-124-65-40(106)28(94)15(78)12-123-65/h15-62,64-72,80-113,120H,1-14,77-79H2,(H,114,115)(H,116,117)(H,118,119)(H,121,122)/t15-,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+,59-,60+,61+,62-,64+,65+,66-,67-,68+,69+,70+,71+,72-,75+,76+/m0/s1
InChIKeyMXRHIKHPVZCUQI-PUKPJFHPSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GalN-(1→4)-[α-LD-Hep-(1→2)-α-DD-Hep-(1→2)]-α-D-GalA-(1→3)-[α-LD-Hep-(1→7)]-α-LD-Hep6PEtn-(1→3)-[β-D-Glc-(1→4)]-α-LD-Hep-(1→5)-[α-Kdo-(2→4)][β-L-Arap4N-(1→8)]-α-Kdo (CHEBI:136356) is a oligosaccharide derivative (CHEBI:63563)
IUPAC Name 
4-amino-4-deoxy-β-L-arabinopyranosyl-(1→8)-[2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-[L-glycero-α-D-manno-heptopyranosyl-(1→2)-D-glycero-α-D-manno-heptopyranosyl-(1→2)]-α-D-galactopyranuronosyl-(1→3)-[L-glycero-α-D-manno-heptopyranosyl-(1→7)]-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-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-manno-oct-2-ulopyranonosyl-(2→4)]-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid
Synonyms  Source
P. Penneri 13 LPS core oligosaccharideChEBI
α-D-GalpN-(1→4)-[α-LD-Hepp-(1→2)-α-DD-Hepp-(1→2)]-α-D-GalpA-(1→3)-[α-LD-Hepp-(1→7)]-α-LD-Hepp6PEtn-(1→3)-[β-D-Glcp-(1→4)]-α-LD-Hepp-(1→5)-[α-Kdo-(2→4)][β-L-Arap4N-(1→8)]-α-KdoIUPAC
α-GalN-(1→4)-[α-Hep-(1→2)-α-DD-Hep-(1→2)]-α-GalA-(1→3)-[α-Hep-(1→7)]-α-Hep6PEtn-(1→3)-[β-Glc-(1→4)]-α-Hep-(1→5)-[α-Kdo-(2→4)][β-L-Ara4N-(1→8)]-α-KdoChEBI
Citations