alpha-D-Glc-(1->4)-alpha-D-GalNAc-(1->2)-alpha-DD-Hep-(1->6)-alpha-D-GlcNGly-(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 (CHEBI:134650)

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CHEBI:134650 - α-D-Glc-(1→4)-α-D-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-D-GlcNGly-(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 ID	CHEBI:134650
ChEBI Name	α-D-Glc-(1→4)-α-D-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-D-GlcNGly-(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 Name	alpha-D-Glc-(1->4)-alpha-D-GalNAc-(1->2)-alpha-DD-Hep-(1->6)-alpha-D-GlcNGly-(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
Definition	An oligosaccharide derivative that is a tetradecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strains 7, 14 and 21 lipopolysaccharide (LPS) core region.
Last Modified	28 February 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C99H168N5O83P
Net Charge	0
Average Mass	2787.359
Monoisotopic Mass	2785.88165
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]6O[C@]([H])([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]6O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@@H](O)[C@H](O)[C@H]5NC(=O)CN)[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
InChI	InChI=1S/C99H168N5O83P/c1-20(114)103-38-45(130)72(173-88-58(143)46(131)41(126)31(13-111)164-88)33(15-113)166-85(38)179-78-54(139)52(137)67(25(118)9-107)170-93(78)162-18-34-43(128)44(129)37(104-36(123)6-101)84(167-34)177-76-62(147)80(181-94-79(55(140)53(138)68(171-94)26(119)10-108)180-90-60(145)49(134)51(136)66(169-90)24(117)8-106)95(183-82(76)83(150)151)176-75-61(146)73(35(187-188(157,158)163-3-2-100)19-161-87-57(142)48(133)50(135)65(168-87)23(116)7-105)174-91(63(75)148)178-77-64(149)92(172-70(28(121)12-110)81(77)182-89-59(144)47(132)42(127)32(14-112)165-89)175-74-30(184-99(97(154)155)4-22(115)40(125)69(186-99)27(120)11-109)5-98(156,96(152)153)185-71(74)29(122)17-160-86-56(141)39(124)21(102)16-159-86/h21-35,37-82,84-95,105-113,115-122,124-149,156H,2-19,100-102H2,1H3,(H,103,114)(H,104,123)(H,150,151)(H,152,153)(H,154,155)(H,157,158)/t21-,22+,23-,24-,25+,26+,27+,28-,29+,30+,31+,32+,33+,34+,35-,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-,84+,85+,86+,87-,88+,89-,90+,91+,92+,93-,94+,95-,98+,99+/m0/s1
InChIKey	BHGHIIPDBCZLTM-CRUFLAAWSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-D-Glc-(1→4)-α-D-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-D-GlcNGly-(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:134650) is a oligosaccharide derivative (CHEBI:63563)

IUPAC Name
4-amino-4-deoxy-β-L-arabinopyranosyl-(1→8)-[3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)]-[β-D-glucopyranosyl-(1→4)-[α-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→2)-D-glycero-α-D-manno-heptopyranosyl-(1→6)-2-deoxy-2-(glycylamino)-α-D-glucopyranosyl-(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)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)]-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid

IUPAC Name

4-amino-4-deoxy-β-L-arabinopyranosyl-(1→8)-[3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)]-[β-D-glucopyranosyl-(1→4)-[α-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→2)-D-glycero-α-D-manno-heptopyranosyl-(1→6)-2-deoxy-2-(glycylamino)-α-D-glucopyranosyl-(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)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)]-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid

Synonyms	Source
α-D-Glcp-(1→4)-α-D-GalpNAc-(1→2)-α-DD-Hepp-(1→6)-α-D-GlcpNGly-(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-Kdo	IUPAC
P. Penneri 7 LPS core oligosaccharide	ChEBI
P. Penneri 21 LPS core oligosaccharide	ChEBI
P. Penneri 14 LPS core oligosaccharide	ChEBI
α-Glc-(1→4)-α-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-GlcpNGly-(1→4)-[α-Hep-(1→2)-α-DD-Hep(1→2)]-α-D-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-Kdo	ChEBI

Citations