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CHEBI:150206 - CID 91858304

Default Structure
ChEBI IDCHEBI:150206
ChEBI NameCID 91858304
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC116H193N7O83
Net Charge0
Average Mass3013.786
Monoisotopic Mass3012.10966
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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=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@H]5O)[C@H](O)[C@H]4NC(C)=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@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,17,16/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-6-2-6-2-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_k2-l1_k6-o1_l3-m1_l4-n1_o3-p1_o4-q1
InChIInChI=1S/C116H193N7O83/c1-25-56(143)69(156)77(164)107(176-25)201-94-53(121-32(8)140)101(185-44(20-133)90(94)198-111-81(168)73(160)61(148)37(13-126)182-111)174-23-47-64(151)76(163)98(205-105-54(122-33(9)141)95(202-108-78(165)70(157)57(144)26(2)177-108)91(45(21-134)188-105)199-112-82(169)74(161)62(149)38(14-127)183-112)115(191-47)175-24-48-93(197-102-50(118-29(5)137)65(152)59(146)35(11-124)180-102)97(85(172)114(192-48)196-88-42(18-131)186-103(51(68(88)155)119-30(6)138)193-86-40(16-129)179-100(173)49(66(86)153)117-28(4)136)204-116-99(84(171)89(43(19-132)190-116)194-104-52(120-31(7)139)67(154)87(41(17-130)187-104)195-110-80(167)72(159)60(147)36(12-125)181-110)206-106-55(123-34(10)142)96(203-109-79(166)71(158)58(145)27(3)178-109)92(46(22-135)189-106)200-113-83(170)75(162)63(150)39(15-128)184-113/h25-27,35-116,124-135,143-173H,11-24H2,1-10H3,(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)/t25-,26-,27-,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-,109-,110-,111-,112-,113-,114-,115-,116+/m0/s1
InChIKeyOAJORQZBKWQDLM-VAFRSUKHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858304 (CHEBI:150206) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->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->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G34985DSGlyTouCan
G34985DSGlyGen