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CHEBI:148657 - CID 91862844

ChEBI IDCHEBI:148657
ChEBI NameCID 91862844
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC98H163N7O70
Net Charge0
Average Mass2559.361
Monoisotopic Mass2557.94102
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]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@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]5NC(C)=O)[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=2.0/6,14,13/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-5-3-1-5-1-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-l1_j4-k1_l4-m1
InChIInChI=1S/C98H163N7O70/c1-22-50(123)64(137)69(142)92(152-22)150-21-42-81(58(131)43(85(148)153-42)99-23(2)116)168-89-47(103-27(6)120)62(135)79(38(17-114)160-89)172-96-74(147)82(173-98-84(175-91-48(104-28(7)121)60(133)75(35(14-111)161-91)166-87-44(100-24(3)117)57(130)51(124)30(9-106)154-87)73(146)80(39(18-115)163-98)167-88-46(102-26(5)119)61(134)77(36(15-112)159-88)170-94-71(144)66(139)53(126)32(11-108)156-94)56(129)41(164-96)20-151-97-83(174-90-49(105-29(8)122)63(136)78(37(16-113)162-90)171-95-72(145)67(140)54(127)33(12-109)157-95)68(141)55(128)40(165-97)19-149-86-45(101-25(4)118)59(132)76(34(13-110)158-86)169-93-70(143)65(138)52(125)31(10-107)155-93/h22,30-98,106-115,123-148H,9-21H2,1-8H3,(H,99,116)(H,100,117)(H,101,118)(H,102,119)(H,103,120)(H,104,121)(H,105,122)/t22-,30+,31+,32+,33+,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+/m0/s1
InChIKeyZJVRTXOSTJQBKR-FWFNYULYSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91862844 (CHEBI:148657) is a polysaccharide (CHEBI:18154)
Synonyms  Source
2-acetamido-2-deoxy-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-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->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-beta-D-gluco-hexopyranoseSUBMITTER
GalNAc(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G23484GMGlyTouCan
G23484GMGlyGen