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CHEBI:148607 - CID 91855768

ChEBI IDCHEBI:148607
ChEBI NameCID 91855768
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC126H207N9O97S2
Net Charge0
Average Mass3464.142
Monoisotopic Mass3462.09831
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[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]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=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](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/9,17,16/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_3*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-4-2-6-7-8-2-6-7-9/a4-b1_a6-q1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-n1_j4-k1_k3-l2_k4-m1_n4-o1_o3-p2
InChIInChI=1S/C126H207N9O97S2/c1-29-66(162)82(178)84(180)115(201-29)199-28-56-97(76(172)59(108(187)202-56)129-32(4)151)217-112-63(133-36(8)155)79(175)92(48(20-143)209-112)218-116-86(182)101(224-122-107(226-114-65(135-38(10)157)81(177)94(50(22-145)211-114)221-119-89(185)104(232-234(195,196)197)73(169)46(18-141)206-119)85(181)96(52(24-147)213-122)216-111-62(132-35(7)154)78(174)93(49(21-144)208-111)220-118-88(184)103(231-233(192,193)194)72(168)45(17-140)205-118)74(170)55(214-116)27-200-121-106(83(179)70(166)54(215-121)26-198-109-61(131-34(6)153)77(173)91(47(19-142)207-109)219-117-87(183)102(71(167)44(16-139)204-117)229-125(123(188)189)11-39(158)57(127-30(2)149)99(227-125)67(163)41(160)13-136)225-113-64(134-37(9)156)80(176)95(51(23-146)210-113)222-120-90(186)105(98(53(25-148)212-120)223-110-60(130-33(5)152)75(171)69(165)43(15-138)203-110)230-126(124(190)191)12-40(159)58(128-31(3)150)100(228-126)68(164)42(161)14-137/h29,39-122,136-148,158-187H,11-28H2,1-10H3,(H,127,149)(H,128,150)(H,129,151)(H,130,152)(H,131,153)(H,132,154)(H,133,155)(H,134,156)(H,135,157)(H,188,189)(H,190,191)(H,192,193,194)(H,195,196,197)/t29-,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+,110-,111-,112-,113-,114-,115+,116-,117-,118-,119-,120-,121-,122+,125-,126-/m0/s1
InChIKeyYQTHGUBMVCURBB-PHDDYVSWSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855768 (CHEBI:148607) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-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)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)]-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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal3S(b1-4)GlcNAc(b1-2)[Gal3S(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G26068PUGlyTouCan
G26068PUGlyGen