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CHEBI:148914 - CID 91862114

ChEBI IDCHEBI:148914
ChEBI NameCID 91862114
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC96H160N6O71
Net Charge0
Average Mass2534.307
Monoisotopic Mass2532.90939
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/4,14,13/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-1-2-3-1-4-1-4-1-4-3-1-4-4/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_e4-f1_f3-g1_g4-h1_h3-i1_i4-j1_k2-l1_l4-m1_m3-n1
InChIInChI=1S/C96H160N6O71/c1-21(116)97-41-55(130)71(34(14-110)148-83(41)146)162-84-42(98-22(2)117)56(131)76(36(16-112)156-84)167-94-70(145)80(54(129)40(161-94)20-147-95-81(63(138)49(124)29(9-105)154-95)172-87-45(101-25(5)120)59(134)74(38(18-114)159-87)166-93-69(144)79(53(128)33(13-109)153-93)170-90-66(141)62(137)48(123)28(8-104)150-90)171-96-82(64(139)50(125)30(10-106)155-96)173-88-46(102-26(6)121)60(135)75(39(19-115)160-88)165-92-68(143)78(52(127)32(12-108)152-92)169-86-44(100-24(4)119)58(133)73(37(17-113)158-86)164-91-67(142)77(51(126)31(11-107)151-91)168-85-43(99-23(3)118)57(132)72(35(15-111)157-85)163-89-65(140)61(136)47(122)27(7-103)149-89/h27-96,103-115,122-146H,7-20H2,1-6H3,(H,97,116)(H,98,117)(H,99,118)(H,100,119)(H,101,120)(H,102,121)/t27-,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+,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-/m1/s1
InChIKeyPRQYTRBJZYXZFX-KBXXJBCDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91862114 (CHEBI:148914) is a polysaccharide (CHEBI:18154)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G30293NEGlyTouCan
G30293NEGlyGen