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CHEBI:151091 - CID 71297936

ChEBI IDCHEBI:151091
ChEBI NameCID 71297936
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC126H205N9O93
Net Charge0
Average Mass3333.996
Monoisotopic Mass3332.15886
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]4CO)O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[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]6O)[C@H](O)[C@H]5NC(C)=O)[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]3O)O[C@H](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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,16,15/[a2122h-1x_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5-6-4-5-6-3-4-5-6-4-5-6/a4-b1_b3-c1_b6-j1_c2-d1_c4-g1_d4-e1_e6-f2_g4-h1_h3-i2_j2-k1_j6-n1_k4-l1_l6-m2_n4-o1_o3-p2
InChIInChI=1S/C126H205N9O93/c1-30(148)127-59-39(157)10-123(119(190)191,223-98(59)68(165)43(161)14-136)200-28-57-72(169)83(180)86(183)112(211-57)215-94-51(22-144)207-110(66(81(94)178)134-37(8)155)221-105-85(182)74(171)55(26-198-108-64(132-35(6)153)79(176)93(50(21-143)205-108)218-115-90(187)103(75(172)47(18-140)203-115)227-125(121(194)195)12-41(159)61(129-32(3)150)100(225-125)70(167)45(163)16-138)213-117(105)199-27-56-77(174)102(89(186)114(210-56)217-92-49(20-142)202-107(189)63(78(92)175)131-34(5)152)220-118-106(222-111-67(135-38(9)156)82(179)95(52(23-145)208-111)216-113-87(184)84(181)73(170)58(212-113)29-201-124(120(192)193)11-40(158)60(128-31(2)149)99(224-124)69(166)44(162)15-137)88(185)97(54(25-147)209-118)214-109-65(133-36(7)154)80(177)96(53(24-146)206-109)219-116-91(188)104(76(173)48(19-141)204-116)228-126(122(196)197)13-42(160)62(130-33(4)151)101(226-126)71(168)46(164)17-139/h39-118,136-147,157-189H,10-29H2,1-9H3,(H,127,148)(H,128,149)(H,129,150)(H,130,151)(H,131,152)(H,132,153)(H,133,154)(H,134,155)(H,135,156)(H,190,191)(H,192,193)(H,194,195)(H,196,197)/t39-,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-,110-,111-,112-,113-,114-,115-,116-,117-,118+,123+,124+,125-,126-/m0/s1
InChIKeyHAHCRVDLWVTEBZ-LKEUFKNHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297936 (CHEBI:151091) 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->3)-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)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G46059YJGlyGen
G46059YJGlyTouCan