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CHEBI:147479 - CID 91855314

ChEBI IDCHEBI:147479
ChEBI NameCID 91855314
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC132H217N9O96
Net Charge0
Average Mass3466.155
Monoisotopic Mass3464.23750
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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@]9(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O9)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[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@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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[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@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=2.0/6,18,17/[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]/1-1-2-3-1-4-1-4-3-1-4-5-1-4-1-4-5-6/a4-b1_a6-r1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-m1_j4-k1_k3-l2_m4-n1_n3-o1_o4-p1_p3-q2
InChIInChI=1S/C132H217N9O96/c1-30-68(169)85(186)89(190)120(206-30)204-29-58-104(78(179)61(113(198)207-58)135-33(4)158)223-116-64(138-36(7)161)81(182)100(52(23-152)215-116)227-124-94(195)108(231-128-112(233-119-67(141-39(10)164)83(184)99(51(22-151)218-119)225-122-91(192)87(188)72(173)45(16-145)209-122)92(193)103(55(26-155)219-128)222-115-63(137-35(6)160)80(181)98(50(21-150)214-115)224-121-90(191)86(187)71(172)44(15-144)208-121)77(178)57(220-124)28-205-127-111(232-118-66(140-38(9)163)84(185)102(54(25-154)217-118)229-126-96(197)110(76(177)48(19-148)212-126)237-132(130(201)202)12-41(166)60(134-32(3)157)106(235-132)70(171)43(168)14-143)88(189)73(174)56(221-127)27-203-114-62(136-34(5)159)79(180)97(49(20-149)213-114)226-123-93(194)107(74(175)46(17-146)210-123)230-117-65(139-37(8)162)82(183)101(53(24-153)216-117)228-125-95(196)109(75(176)47(18-147)211-125)236-131(129(199)200)11-40(165)59(133-31(2)156)105(234-131)69(170)42(167)13-142/h30,40-128,142-155,165-198H,11-29H2,1-10H3,(H,133,156)(H,134,157)(H,135,158)(H,136,159)(H,137,160)(H,138,161)(H,139,162)(H,140,163)(H,141,164)(H,199,200)(H,201,202)/t30-,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-,123-,124-,125-,126-,127-,128+,131-,132-/m0/s1
InChIKeyBJEDGUZZICFKDO-ZZHWXKEYSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855314 (CHEBI:147479) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[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->2)]-alpha-D-manno-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G16873YGGlyTouCan
G16873YGGlyGen