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CHEBI:148023 - CID 91850383

ChEBI IDCHEBI:148023
ChEBI NameCID 91850383
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC102H170N6O74
Net Charge0
Average Mass2664.450
Monoisotopic Mass2662.97238
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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[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]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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=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]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/5,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-5-4-3-1-5-4-1-4/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g3-h1_g4-i1_j2-k1_j6-n1_k3-l1_k4-m1_n4-o1
InChIInChI=1S/C102H170N6O74/c1-22-49(126)61(138)68(145)94(156-22)178-83-47(107-28(7)124)92(166-39(18-118)81(83)176-98-72(149)65(142)53(130)32(11-111)161-98)172-80-38(17-117)168-102(87(74(80)151)182-91-46(106-27(6)123)60(137)78(36(15-115)165-91)174-97-71(148)64(141)52(129)31(10-110)160-97)180-85-56(133)42(169-100(75(85)152)175-79-37(16-116)164-90(45(59(79)136)105-26(5)122)171-76-34(13-113)158-88(153)43(57(76)134)103-24(3)120)21-155-101-86(67(144)55(132)41(170-101)20-154-89-44(104-25(4)121)58(135)77(35(14-114)163-89)173-96-70(147)63(140)51(128)30(9-109)159-96)181-93-48(108-29(8)125)84(179-95-69(146)62(139)50(127)23(2)157-95)82(40(19-119)167-93)177-99-73(150)66(143)54(131)33(12-112)162-99/h22-23,30-102,109-119,126-153H,9-21H2,1-8H3,(H,103,120)(H,104,121)(H,105,122)(H,106,123)(H,107,124)(H,108,125)/t22-,23-,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-,96-,97-,98-,99-,100-,101-,102+/m0/s1
InChIKeyVQSKFXSPOCCOKV-YYFFURQXSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91850383 (CHEBI:148023) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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->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)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G15828WBGlyGen
G15828WBGlyTouCan