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CHEBI:154240 - CID 91846183

Default Structure
ChEBI IDCHEBI:154240
ChEBI NameCID 91846183
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC93H154N6O74S2
Net Charge0
Average Mass2604.357
Monoisotopic Mass2602.79132
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](OS(=O)(=O)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](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@H](O)[C@H](OS(=O)(=O)O)[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_3*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-2-6-7-4-2-5-8/a4-b1_a6-m1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g4-h1_h3-i2_j2-k1_k4-l1
InChIInChI=1S/C93H154N6O74S2/c1-21-47(118)59(130)61(132)85(149-21)147-20-40-72(54(125)42(80(138)150-40)95-23(3)111)162-82-44(97-25(5)113)56(127)67(34(14-105)156-82)163-86-63(134)74(53(124)39(160-86)19-148-90-78(60(131)49(120)30(10-101)154-90)168-83-45(98-26(6)114)57(128)69(36(16-107)157-83)165-88-65(136)76(172-174(141,142)143)51(122)32(12-103)152-88)167-91-79(169-84-46(99-27(7)115)58(129)70(37(17-108)158-84)166-89-66(137)77(173-175(144,145)146)52(123)33(13-104)153-89)62(133)71(38(18-109)159-91)161-81-43(96-24(4)112)55(126)68(35(15-106)155-81)164-87-64(135)75(50(121)31(11-102)151-87)171-93(92(139)140)8-28(116)41(94-22(2)110)73(170-93)48(119)29(117)9-100/h21,28-91,100-109,116-138H,8-20H2,1-7H3,(H,94,110)(H,95,111)(H,96,112)(H,97,113)(H,98,114)(H,99,115)(H,139,140)(H,141,142,143)(H,144,145,146)/t21-,28-,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+,93-/m0/s1
InChIKeyBCVFCCLQBMAHIB-DHPTWUERSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846183 (CHEBI:154240) 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->4)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->3)-[3-O-sulfo-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(b1-4)[Gal3S(b1-4)GlcNAc(b1-2)]Man(a1-3)[Gal3S(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G82258GNGlyTouCan
G82258GNGlyGen