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CHEBI:157490 - CID 146017475

Default Structure
ChEBI IDCHEBI:157490
ChEBI NameCID 146017475
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC118H194N8O92S2
Net Charge0
Average Mass3260.948
Monoisotopic Mass3259.01894
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@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[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@]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](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](OS(=O)(=O)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](OS(=O)(=O)O)[C@H]5O)[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=2.0/7,16,15/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_3*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-1-4-3-1-5-6-1-5-6-7/a4-b1_a6-p1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-m1_j4-k1_k3-l2_m4-n1_n3-o2
InChIInChI=1S/C118H194N8O92S2/c1-27-61(151)76(166)78(168)107(189-27)187-26-52-91(70(160)55(101(175)190-52)121-30(4)141)204-104-58(124-33(7)144)73(163)86(45(19-134)197-104)205-108-80(170)94(210-114-100(212-106-60(126-35(9)146)75(165)89(48(22-137)199-106)209-112-84(174)98(218-220(183,184)185)68(158)43(17-132)194-112)79(169)90(49(23-138)200-114)203-103-57(123-32(6)143)72(162)88(46(20-135)196-103)208-111-83(173)97(217-219(180,181)182)67(157)42(16-131)193-111)69(159)51(201-108)25-188-113-99(211-105-59(125-34(8)145)74(164)87(47(21-136)198-105)207-110-82(172)96(66(156)41(15-130)192-110)216-118(116(178)179)11-37(148)54(120-29(3)140)93(214-118)63(153)39(150)13-128)77(167)64(154)50(202-113)24-186-102-56(122-31(5)142)71(161)85(44(18-133)195-102)206-109-81(171)95(65(155)40(14-129)191-109)215-117(115(176)177)10-36(147)53(119-28(2)139)92(213-117)62(152)38(149)12-127/h27,36-114,127-138,147-175H,10-26H2,1-9H3,(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,176,177)(H,178,179)(H,180,181,182)(H,183,184,185)/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-,110-,111-,112-,113-,114+,117-,118-/m0/s1
InChIKeyJZPWCUZOOYHFAS-RWBNPQCBSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146017475 (CHEBI:157490) 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->2)-[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->6)]-alpha-D-manno-hexopyranosyl-(1->6)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)]-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
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal3S(b1-4)GlcNAc(b1-2)[Gal3S(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G26935KAGlyTouCan
G26935KAGlyGen