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CHEBI:151308 - CID 91859957

ChEBI IDCHEBI:151308
ChEBI NameCID 91859957
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC97H161N5O72
Net Charge0
Average Mass2549.318
Monoisotopic Mass2547.90905
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[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@]6(C(=O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/6,14,13/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-1-4-1-6-4-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_i4-j1_j3-k1_k3-l1_k4-m1
InChIInChI=1S/C97H161N5O72/c1-21-46(119)60(133)66(139)88(151-21)148-19-40-75(56(129)41(83(145)153-40)98-23(3)112)164-84-42(99-24(4)113)57(130)74(35(15-109)158-84)167-93-71(144)79(171-95-82(65(138)52(125)32(12-106)157-95)173-86-44(101-26(6)115)58(131)72(34(14-108)160-86)165-91-69(142)63(136)53(126)39(163-91)20-150-97(96(146)147)8-28(117)48(121)80(174-97)49(122)29(118)9-103)55(128)38(162-93)18-149-94-81(64(137)51(124)31(11-105)156-94)172-85-43(100-25(5)114)59(132)73(36(16-110)159-85)166-92-70(143)78(54(127)33(13-107)155-92)170-87-45(102-27(7)116)77(169-89-67(140)61(134)47(120)22(2)152-89)76(37(17-111)161-87)168-90-68(141)62(135)50(123)30(10-104)154-90/h21-22,28-95,103-111,117-145H,8-20H2,1-7H3,(H,98,112)(H,99,113)(H,100,114)(H,101,115)(H,102,116)(H,146,147)/t21-,22-,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-,92-,93-,94-,95+,97+/m0/s1
InChIKeyDKRKEMFTKAFNQR-YZVFYPQASA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91859957 (CHEBI:151308) is a polysaccharide (CHEBI:18154)
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->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[3-deoxy-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)]-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
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[Kdn(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G47302FPGlyGen
G47302FPGlyTouCan