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CHEBI:148187 - CID 91845657

ChEBI IDCHEBI:148187
ChEBI NameCID 91845657
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC115H188N8O84
Net Charge0
Average Mass3026.741
Monoisotopic Mass3025.06853
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@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/6,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-4-5-3-1-4-5-6/a4-b1_a6-o1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_l4-m1_m6-n2
InChIInChI=1S/C115H188N8O84/c1-27-61(147)75(161)80(166)103(184-27)179-23-52-91(70(156)56(98(172)185-52)119-31(5)136)197-100-58(121-33(7)138)72(158)89(46(20-131)188-100)201-107-85(171)95(69(155)48(192-107)22-180-108-96(79(165)65(151)42(16-127)186-108)203-101-59(122-34(8)139)73(159)87(44(18-129)189-101)199-105-82(168)77(163)67(153)50(194-105)25-182-114(111(175)176)11-37(142)54(117-29(3)134)93(206-114)63(149)40(145)14-125)202-109-97(204-102-60(123-35(9)140)74(160)88(45(19-130)190-102)200-106-83(169)78(164)68(154)51(195-106)26-183-115(112(177)178)12-38(143)55(118-30(4)135)94(207-115)64(150)41(146)15-126)84(170)90(47(21-132)191-109)196-99-57(120-32(6)137)71(157)86(43(17-128)187-99)198-104-81(167)76(162)66(152)49(193-104)24-181-113(110(173)174)10-36(141)53(116-28(2)133)92(205-113)62(148)39(144)13-124/h27,36-109,124-132,141-172H,10-26H2,1-9H3,(H,116,133)(H,117,134)(H,118,135)(H,119,136)(H,120,137)(H,121,138)(H,122,139)(H,123,140)(H,173,174)(H,175,176)(H,177,178)/t27-,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-,97-,98+,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109+,113+,114+,115+/m0/s1
InChIKeyUWGBYXOUEDUMTI-OLDSANFSSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91845657 (CHEBI:148187) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G19444JCGlyTouCan
G19444JCGlyGen