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CHEBI:155011 - CID 91859971

Default Structure
ChEBI IDCHEBI:155011
ChEBI NameCID 91859971
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC96H158N6O71
Net Charge0
Average Mass2532.291
Monoisotopic Mass2530.89374
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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)O[C@H](CO)[C@@H](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@]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=2.0/8,13,12/[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-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-6-6-4-2-5-7-8/a4-b1_a6-m1_b4-c1_c3-d1_c6-i1_d2-e1_e4-f1_f3-g2_f6-h2_i2-j1_j4-k1_k3-l1
InChIInChI=1S/C96H158N6O71/c1-22-49(122)62(135)66(139)86(152-22)149-20-42-74(58(131)45(82(144)153-42)99-25(4)114)163-83-46(100-26(5)115)59(132)72(37(16-109)158-83)165-89-69(142)78(56(129)40(161-89)19-150-91-80(64(137)53(126)34(13-106)156-91)169-84-47(101-27(6)116)60(133)71(38(17-110)159-84)164-88-68(141)77(55(128)36(15-108)155-88)167-87-67(140)63(136)52(125)33(12-105)154-87)168-92-81(65(138)54(127)35(14-107)157-92)170-85-48(102-28(7)117)61(134)73(39(18-111)160-85)166-90-70(143)79(173-96(94(147)148)9-30(119)44(98-24(3)113)76(172-96)51(124)32(121)11-104)57(130)41(162-90)21-151-95(93(145)146)8-29(118)43(97-23(2)112)75(171-95)50(123)31(120)10-103/h22,29-92,103-111,118-144H,8-21H2,1-7H3,(H,97,112)(H,98,113)(H,99,114)(H,100,115)(H,101,116)(H,102,117)(H,145,146)(H,147,148)/t22-,29-,30-,31+,32+,33+,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+,95+,96-/m0/s1
InChIKeyFVLLTNAPTXBVMM-PIESTQAGSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91859971 (CHEBI:155011) 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)-[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->3)-[alpha-D-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->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)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G84908ORGlyTouCan
G84908ORGlyGen