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CHEBI:152238 - CID 91849265

Default Structure
ChEBI IDCHEBI:152238
ChEBI NameCID 91849265
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC98H161N7O72
Net Charge0
Average Mass2589.343
Monoisotopic Mass2587.91520
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)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@]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](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@]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]3O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,13,12/[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]/1-2-3-4-2-5-6-4-2-5-6-2-5/a4-b1_b4-c1_c3-d1_c6-h1_d4-e1_e4-f1_f3-g2_h2-i1_h6-l1_i4-j1_j3-k2_l4-m1
InChIInChI=1S/C98H161N7O72/c1-23(117)99-45-30(124)8-97(95(149)150,174-78(45)52(128)32(126)10-106)176-81-56(132)35(13-109)157-92(70(81)146)170-75-40(18-114)161-87(50(62(75)138)104-28(6)122)167-77-42(20-116)163-90(68(144)66(77)142)172-80-58(134)44(164-91(69(80)145)169-74-39(17-113)160-86(49(61(74)137)103-27(5)121)166-72-37(15-111)155-84(148)47(59(72)135)101-25(3)119)22-154-94-83(65(141)55(131)43(165-94)21-153-85-48(102-26(4)120)60(136)73(38(16-112)159-85)168-89-67(143)64(140)54(130)34(12-108)156-89)173-88-51(105-29(7)123)63(139)76(41(19-115)162-88)171-93-71(147)82(57(133)36(14-110)158-93)177-98(96(151)152)9-31(125)46(100-24(2)118)79(175-98)53(129)33(127)11-107/h30-94,106-116,124-148H,8-22H2,1-7H3,(H,99,117)(H,100,118)(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,123)(H,149,150)(H,151,152)/t30-,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-,97-,98-/m0/s1
InChIKeyBMWFEQXQYDRIBR-LNYGEKHDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91849265 (CHEBI:152238) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
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->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)-[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)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G60829NMGlyGen
G60829NMGlyTouCan