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CHEBI:150513 - CID 91854765

Default Structure
ChEBI IDCHEBI:150513
ChEBI NameCID 91854765
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC98H161N7O71
Net Charge0
Average Mass2573.344
Monoisotopic Mass2571.92029
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@H](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]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[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]6O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[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]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O
WURCSWURCS=2.0/6,13,12/[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]/1-1-2-3-1-4-5-3-1-1-4-5-6/a4-b1_a6-m1_b4-c1_c3-d1_c6-h1_d2-e1_e3-f1_f3-g2_h2-i1_h6-j1_j3-k1_k3-l2
InChIInChI=1S/C98H161N7O71/c1-23-52(126)66(140)69(143)89(155-23)153-22-44-74(64(138)47(84(147)156-44)101-26(4)117)166-87-49(103-28(6)119)65(139)73(41(19-114)163-87)167-90-70(144)79(170-94-83(67(141)56(130)36(14-109)162-94)172-88-51(105-30(8)121)76(59(133)38(16-111)159-88)169-92-72(146)81(61(135)40(18-113)161-92)176-98(96(150)151)10-32(123)46(100-25(3)116)78(174-98)54(128)34(125)12-107)62(136)43(164-90)21-154-93-82(171-86-48(102-27(5)118)63(137)55(129)35(13-108)158-86)68(142)57(131)42(165-93)20-152-85-50(104-29(7)120)75(58(132)37(15-110)157-85)168-91-71(145)80(60(134)39(17-112)160-91)175-97(95(148)149)9-31(122)45(99-24(2)115)77(173-97)53(127)33(124)11-106/h23,31-94,106-114,122-147H,9-22H2,1-8H3,(H,99,115)(H,100,116)(H,101,117)(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,148,149)(H,150,151)/t23-,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-,93-,94+,97-,98-/m0/s1
InChIKeyHFLLFDDIZHTNIW-QQALFHELSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91854765 (CHEBI:150513) 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->3)-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->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[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(a2-3)Gal(b1-3)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-6)[GlcNAc(b1-2)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G36223VWGlyTouCan
G36223VWGlyGen