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CHEBI:152075 - CID 71297903

Default Structure
ChEBI IDCHEBI:152075
ChEBI NameCID 71297903
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H184N8O81
Net Charge0
Average Mass2938.679
Monoisotopic Mass2937.05248
SMILESCC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@@H]4CO)O[C@H](CO[C@H]4O[C@H](CO)[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]3O)O[C@H](CO)[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]5NC(C)=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]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/8,15,14/[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][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-6-7-4-2-5-8/a4-b1_a6-o1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_i4-k1_l2-m1_m4-n1
InChIInChI=1S/C112H184N8O81/c1-26-59(144)73(158)77(162)102(176-26)173-24-50-88(68(153)53(96(168)177-50)115-29(4)134)190-99-56(118-32(7)137)70(155)85(44(19-128)182-99)193-105-81(166)92(66(151)48(187-105)23-174-107-94(76(161)64(149)41(16-125)180-107)197-100-57(119-33(8)138)71(156)83(42(17-126)183-100)191-103-78(163)74(159)63(148)40(15-124)179-103)196-108-95(198-101-58(120-34(9)139)72(157)84(43(18-127)184-101)192-104-79(164)75(160)65(150)49(188-104)25-175-111(109(169)170)10-35(140)51(113-27(2)132)90(199-111)60(145)37(142)12-121)80(165)87(46(21-130)186-108)189-98-55(117-31(6)136)69(154)86(45(20-129)181-98)194-106-82(167)93(89(47(22-131)185-106)195-97-54(116-30(5)135)67(152)62(147)39(14-123)178-97)201-112(110(171)172)11-36(141)52(114-28(3)133)91(200-112)61(146)38(143)13-122/h26,35-108,121-131,140-168H,10-25H2,1-9H3,(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,169,170)(H,171,172)/t26-,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+,111+,112-/m0/s1
InChIKeyKBOHRNGIILPBDJ-SXIOGXNISA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297903 (CHEBI:152075) 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->6)-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)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-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)-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)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G57075OHGlyGen
G57075OHGlyTouCan