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CHEBI:152981 - CID 71297878

ChEBI IDCHEBI:152981
ChEBI NameCID 71297878
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC115H188N8O84
Net Charge0
Average Mass3026.741
Monoisotopic Mass3025.06853
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](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]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[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]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](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]4NC(C)=O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,15,14/[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][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-4-2-5-6-2-5-6-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d4-e1_e3-f1_f3-g2_h2-i1_h6-l1_i3-j1_j3-k2_l3-m1_m3-n2
InChIInChI=1S/C115H188N8O84/c1-27-61(149)75(163)78(166)103(182-27)180-26-52-86(73(161)56(98(172)183-52)119-31(5)138)195-100-57(120-32(6)139)74(162)84(48(22-133)190-100)196-105-80(168)93(200-104-79(167)77(165)85(49(23-134)191-104)194-101-59(122-34(8)141)88(67(155)43(17-128)185-101)198-107-82(170)95(70(158)46(20-131)188-107)206-114(111(175)176)11-37(144)54(117-29(3)136)91(203-114)63(151)40(147)14-125)72(160)51(192-105)25-181-109-97(201-102-60(123-35(9)142)89(68(156)44(18-129)186-102)199-108-83(171)96(71(159)47(21-132)189-108)207-115(112(177)178)12-38(145)55(118-30(4)137)92(204-115)64(152)41(148)15-126)76(164)65(153)50(193-109)24-179-99-58(121-33(7)140)87(66(154)42(16-127)184-99)197-106-81(169)94(69(157)45(19-130)187-106)205-113(110(173)174)10-36(143)53(116-28(2)135)90(202-113)62(150)39(146)13-124/h27,36-109,124-134,143-172H,10-26H2,1-9H3,(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)(H,173,174)(H,175,176)(H,177,178)/t27-,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-,108-,109-,113-,114-,115-/m0/s1
InChIKeyRMNVSMQZZPPGLY-UBJMSUSYSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297878 (CHEBI:152981) 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->3)-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->3)-beta-D-galacto-hexopyranosyl-(1->3)-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->3)-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-4)Man(a1-3)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
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