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CHEBI:155106 - CID 91862439

ChEBI IDCHEBI:155106
ChEBI NameCID 91862439
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC134H218N10O98
Net Charge0
Average Mass3537.190
Monoisotopic Mass3535.23823
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@]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](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)O[C@H]1O
WURCSWURCS=2.0/5,17,16/[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]/1-1-2-3-1-4-5-1-4-5-3-1-4-5-1-4-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_k6-o1_l4-m1_m6-n2_o4-p1_p3-q2
InChIInChI=1S/C134H218N10O98/c1-32(157)135-63-42(167)11-131(127(202)203,238-106(63)73(175)46(171)15-145)212-29-60-77(179)89(191)93(195)120(224-60)230-101-53(22-152)219-117(70(85(101)187)142-39(8)164)229-105-57(26-156)222-126(113(96(105)198)237-119-72(144-41(10)166)88(190)103(55(24-154)221-119)232-122-95(197)91(193)79(181)62(226-122)31-214-133(129(206)207)13-44(169)65(137-34(3)159)108(240-133)75(177)48(173)17-147)235-110-82(184)59(223-123(97(110)199)233-104-56(25-155)218-116(69(86(104)188)141-38(7)163)228-99-51(20-150)215-114(201)67(83(99)185)139-36(5)161)28-211-125-112(236-118-71(143-40(9)165)87(189)102(54(23-153)220-118)231-121-94(196)90(192)78(180)61(225-121)30-213-132(128(204)205)12-43(168)64(136-33(2)158)107(239-132)74(176)47(172)16-146)92(194)80(182)58(227-125)27-210-115-68(140-37(6)162)84(186)100(52(21-151)217-115)234-124-98(200)111(81(183)50(19-149)216-124)242-134(130(208)209)14-45(170)66(138-35(4)160)109(241-134)76(178)49(174)18-148/h42-126,145-156,167-201H,11-31H2,1-10H3,(H,135,157)(H,136,158)(H,137,159)(H,138,160)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H,143,165)(H,144,166)(H,202,203)(H,204,205)(H,206,207)(H,208,209)/t42-,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+,131+,132+,133+,134-/m0/s1
InChIKeyUPLQUMRNBKWTCZ-YQRGPIKASA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91862439 (CHEBI:155106) 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)-[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-beta-D-gluco-hexopyranosyl-(1->4)-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)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G94363RHGlyGen
G94363RHGlyTouCan