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CHEBI:152890 - CID 91847885

ChEBI IDCHEBI:152890
ChEBI NameCID 91847885
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC116H193N7O84
Net Charge0
Average Mass3029.785
Monoisotopic Mass3028.10458
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@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=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](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](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,17,16/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3-4-2-5-6-2-6-2-4-2-6-2-6-7-5/a4-b1_a6-q1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_k2-l1_k6-n1_l4-m1_n4-o1_o3-p1
InChIInChI=1S/C116H193N7O84/c1-25-56(143)71(158)78(165)107(178-25)176-23-47-92(66(153)49(100(174)180-47)117-27(3)136)196-104-53(121-31(7)140)69(156)90(43(19-133)189-104)200-114-86(173)97(205-116-99(84(171)91(44(20-134)192-116)195-103-52(120-30(6)139)68(155)88(41(17-131)188-103)197-109-80(167)73(160)59(146)35(11-125)182-109)207-106-55(123-33(9)142)95(203-108-79(166)72(159)57(144)26(2)179-108)93(45(21-135)191-106)202-111-82(169)75(162)61(148)37(13-127)184-111)94(201-102-50(118-28(4)137)65(152)58(145)34(10-124)181-102)48(194-114)24-177-115-98(206-105-54(122-32(8)141)70(157)89(42(18-132)190-105)198-110-81(168)74(161)60(147)36(12-126)183-110)77(164)63(150)46(193-115)22-175-101-51(119-29(5)138)67(154)87(40(16-130)187-101)199-113-85(172)96(64(151)39(15-129)186-113)204-112-83(170)76(163)62(149)38(14-128)185-112/h25-26,34-116,124-135,143-174H,10-24H2,1-9H3,(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)/t25-,26-,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+,108-,109-,110-,111-,112+,113-,114-,115-,116+/m0/s1
InChIKeyRHIHWDSXDPKVTL-HOJLPHBDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91847885 (CHEBI:152890) is a polysaccharide (CHEBI:18154)
Synonyms  Source
alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->6)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[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)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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
Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
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