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CHEBI:59949 - N. meningiditis L7 lipoundecasaccharide

ChEBI IDCHEBI:59949
ChEBI NameN. meningiditis L7 lipoundecasaccharide
Stars
ASCII NameN. meningiditis L7 lipoundecasaccharide
DefinitionA branched undecasaccharide corresponding to part of the lipooligosaccharide of N. meningiditis type L7
Last Modified8 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC106H186N5O67P
Net Charge0
Average Mass2633.596
Monoisotopic Mass2632.10387
SMILES[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](OC[C@H]3O[C@@H](OC[C@H]4O[C@@H](O)[C@H](NC(=O)CC(O)CCCCCCCCCCC)[C@@H](O)[C@@H]4O)[C@H](NC(=O)CC(O)CCCCCCCCCCC)[C@@H](O)[C@@H]3O)(C(=O)O)O[C@]([H])([C@H](O)CO)[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]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O[C@H]3O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](OP(=O)(O)OCCN)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C106H186N5O67P/c1-5-7-9-11-13-15-17-19-21-23-44(123)27-59(130)110-61-71(138)68(135)57(159-94(61)149)40-156-95-62(111-60(131)28-45(124)24-22-20-18-16-14-12-10-8-6-2)72(139)69(136)58(165-95)41-157-105(103(150)151)30-51(175-106(104(152)153)29-46(125)65(132)83(176-106)48(127)32-113)88(85(177-105)50(129)34-115)170-101-81(148)90(172-102-93(174-96-63(108-42(3)121)73(140)66(133)52(35-116)160-96)91(178-179(154,155)158-26-25-107)79(146)82(166-102)47(126)31-112)92(84(167-101)49(128)33-114)173-99-78(145)76(143)87(56(39-120)164-99)169-100-80(147)89(70(137)54(37-118)162-100)171-97-64(109-43(4)122)74(141)86(55(38-119)163-97)168-98-77(144)75(142)67(134)53(36-117)161-98/h44-58,61-102,112-120,123-129,132-149H,5-41,107H2,1-4H3,(H,108,121)(H,109,122)(H,110,130)(H,111,131)(H,150,151)(H,152,153)(H,154,155)/t44?,45?,46-,47+,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,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-,105-,106-/m1/s1
InChIKeyZFCUVZVLSDXELV-OHDQBSKSSA-N
ChEBI Ontology
Outgoing Relation(s)
N. meningiditis L7 lipoundecasaccharide (CHEBI:59949) is a lipooligosaccharide (CHEBI:35371)
IUPAC Name 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-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-ulopyranonosyl-(2→6)-2-deoxy-2-[(3-hydroxytetradecanoyl)amino]-β-D-glucopyranosyl-(1→6)-2-deoxy-2-[(3-hydroxytetradecanoyl)amino]-β-D-glucopyranose
Synonyms  Source
Neisseria. meningiditis L7 LOSChEBI
Neisseria meningiditis L7 oligosaccharideChEBI
N. meningiditis L7 LOSChEBI
α-D-GlcNAc-(1→2)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-Hep-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1→4)]-L-glycero-α-D-manno-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-2-deoxy-2-[(3-hydroxytetradecanoyl)amino]-β-D-Glc-(1→6)-2-deoxy-2-[(3-hydroxytetradecanoyl)amino]-β-D-GlcChEBI
N. meningiditis L7 oligosaccharideChEBI
N. meningiditis L7 lipooligosaccharideChEBI
Citations