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CHEBI:146658 - CID 91858284

ChEBI IDCHEBI:146658
ChEBI NameCID 91858284
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC113H185N7O84
Net Charge0
Average Mass2985.688
Monoisotopic Mass2984.04198
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@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@]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]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5O)[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=2.0/7,15,14/[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][a2122h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-6-7-4-5-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f6-g2_h3-i1_h4-j1_j3-k2_l2-m1_m4-n1_n3-o2
InChIInChI=1S/C113H185N7O84/c1-26-58(146)71(159)74(162)100(178-26)197-93-80(168)105(186-48(23-132)86(93)195-104-79(167)92(65(153)42(17-126)181-104)204-113(110(174)175)11-36(142)53(116-29(4)135)89(202-113)61(149)39(145)14-123)194-85-47(22-131)187-107(95(76(85)164)199-99-57(120-33(8)139)69(157)82(44(19-128)185-99)191-101-75(163)72(160)63(151)50(189-101)25-177-111(108(170)171)9-34(140)51(114-27(2)133)87(200-111)59(147)37(143)12-121)196-90-66(154)49(188-102(77(90)165)192-83-45(20-129)183-97(55(68(83)156)118-31(6)137)190-81-43(18-127)179-96(169)54(67(81)155)117-30(5)136)24-176-106-94(73(161)62(150)40(15-124)182-106)198-98-56(119-32(7)138)70(158)84(46(21-130)184-98)193-103-78(166)91(64(152)41(16-125)180-103)203-112(109(172)173)10-35(141)52(115-28(3)134)88(201-112)60(148)38(144)13-122/h26,34-107,121-132,140-169H,9-25H2,1-8H3,(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,170,171)(H,172,173)(H,174,175)/t26-,34-,35-,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+,111+,112-,113-/m0/s1
InChIKeyHVAUURNOLOISOS-JPEMWGDBSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858284 (CHEBI:146658) 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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-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->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-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(a2-3)Gal(b1-4)[Fuc(a1-3)]Glc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
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