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CHEBI:146684 - CID 91848235

ChEBI IDCHEBI:146684
ChEBI NameCID 91848235
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC107H177N7O78
Net Charge0
Average Mass2809.564
Monoisotopic Mass2808.00989
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]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](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@]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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[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]/1-2-3-4-2-5-6-2-5-4-2-5-2-5-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_j6-m1_k4-l1_m4-n1
InChIInChI=1S/C107H177N7O78/c1-24-54(134)68(148)74(154)98(168-24)165-22-46-87(62(142)48(92(161)169-46)109-26(3)126)183-95-51(112-29(6)129)65(145)85(41(18-123)175-95)188-103-80(160)89(61(141)44(179-103)21-166-104-90(190-96-52(113-30(7)130)66(146)83(39(16-121)176-96)186-101-77(157)71(151)58(138)36(13-118)172-101)73(153)60(140)43(181-104)20-164-93-49(110-27(4)127)63(143)81(37(14-119)173-93)184-99-75(155)69(149)56(136)34(11-116)170-99)189-105-91(79(159)86(42(19-124)178-105)182-94-50(111-28(5)128)64(144)82(38(15-120)174-94)185-100-76(156)70(150)57(137)35(12-117)171-100)191-97-53(114-31(8)131)67(147)84(40(17-122)177-97)187-102-78(158)72(152)59(139)45(180-102)23-167-107(106(162)163)9-32(132)47(108-25(2)125)88(192-107)55(135)33(133)10-115/h24,32-105,115-124,132-161H,9-23H2,1-8H3,(H,108,125)(H,109,126)(H,110,127)(H,111,128)(H,112,129)(H,113,130)(H,114,131)(H,162,163)/t24-,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+,99-,100-,101-,102-,103-,104-,105+,107+/m0/s1
InChIKeyDBWLDSGGBVPKJG-FMNIIWQMSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91848235 (CHEBI:146684) 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)-[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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(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)]GlcNAcSUBMITTER
Manual XrefsDatabases
G02483WTGlyGen
G02483WTGlyTouCan