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CHEBI:155224 - CID 71297891

Default Structure
ChEBI IDCHEBI:155224
ChEBI NameCID 71297891
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC110H181N7O80
Net Charge0
Average Mass2881.627
Monoisotopic Mass2880.03102
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@]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]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](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[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@H](O)[C@H](O[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]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]/1-2-3-4-2-5-6-2-5-7-4-2-5-6-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i2-j1_k2-l1_l4-m1_m3-n2
InChIInChI=1S/C110H181N7O80/c1-25-56(140)70(154)74(158)99(171-25)169-24-48-85(65(149)51(94(164)173-48)113-29(5)131)185-96-52(114-30(6)132)66(150)80(42(18-124)178-96)186-101-77(161)88(64(148)47(183-101)23-170-104-91(72(156)60(144)38(14-120)176-104)191-97-54(116-32(8)134)67(151)81(43(19-125)180-97)187-102-78(162)89(62(146)40(16-122)174-102)196-109(107(165)166)10-34(136)49(111-27(3)129)86(194-109)58(142)36(138)12-118)190-106-93(76(160)84(46(22-128)182-106)184-95-53(115-31(7)133)69(153)83(45(21-127)179-95)189-105-92(73(157)61(145)39(15-121)177-105)193-100-75(159)71(155)57(141)26(2)172-100)192-98-55(117-33(9)135)68(152)82(44(20-126)181-98)188-103-79(163)90(63(147)41(17-123)175-103)197-110(108(167)168)11-35(137)50(112-28(4)130)87(195-110)59(143)37(139)13-119/h25-26,34-106,118-128,136-164H,10-24H2,1-9H3,(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,115,133)(H,116,134)(H,117,135)(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
InChIKeyHJDPYEXWEORPMT-KRFAVQIUSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297891 (CHEBI:155224) 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)-[6-deoxy-alpha-L-galacto-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)-[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)-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(a2-3)Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
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G94804ZCGlyTouCan