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CHEBI:156834 - CID 146015956

Default Structure
ChEBI IDCHEBI:156834
ChEBI NameCID 146015956
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC110H181N7O80
Net Charge0
Average Mass2881.627
Monoisotopic Mass2880.03102
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](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[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](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@]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](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]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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=2.0/6,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-1-2-3-1-4-5-1-5-6-3-1-5-6-4/a4-b1_a6-o1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_i6-j2_k2-l1_l4-m1_m6-n2
InChIInChI=1S/C110H181N7O80/c1-25-56(138)69(151)75(157)99(173-25)169-22-48-86(65(147)51(94(164)175-48)113-29(5)129)187-96-53(115-31(7)131)67(149)84(42(18-124)179-96)190-104-81(163)91(64(146)45(183-104)21-170-105-92(74(156)61(143)39(15-121)177-105)194-97-54(116-32(8)132)68(150)83(41(17-123)180-97)189-103-79(161)73(155)63(145)47(185-103)24-172-110(108(167)168)11-35(135)50(112-28(4)128)89(197-110)59(141)37(137)13-119)193-106-93(195-98-55(117-33(9)133)90(192-100-76(158)70(152)57(139)26(2)174-100)87(44(20-126)181-98)191-101-77(159)71(153)60(142)38(14-120)176-101)80(162)85(43(19-125)182-106)186-95-52(114-30(6)130)66(148)82(40(16-122)178-95)188-102-78(160)72(154)62(144)46(184-102)23-171-109(107(165)166)10-34(134)49(111-27(3)127)88(196-109)58(140)36(136)12-118/h25-26,34-106,118-126,134-164H,10-24H2,1-9H3,(H,111,127)(H,112,128)(H,113,129)(H,114,130)(H,115,131)(H,116,132)(H,117,133)(H,165,166)(H,167,168)/t25-,26-,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-,106+,109+,110+/m0/s1
InChIKeyJTUXKAMJCQIZPM-CZUBGQQXSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146015956 (CHEBI:156834) 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->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->3)-[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)-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
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G44092XRGlyGen
G44092XRGlyTouCan