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CHEBI:151590 - CID 91846192

Default Structure
ChEBI IDCHEBI:151590
ChEBI NameCID 91846192
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H173N7O75
Net Charge0
Average Mass2721.502
Monoisotopic Mass2719.99385
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[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](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[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](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,15,14/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-6-2-6-2-4-2-6-2-6/a4-b1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_k2-l1_k6-n1_l4-m1_n4-o1
InChIInChI=1S/C104H173N7O75/c1-23-52(131)65(144)71(150)97(160-23)183-86-51(111-30(8)130)96(171-42(20-123)84(86)182-101-75(154)69(148)57(136)35(13-116)166-101)186-89-76(155)83(176-94-49(109-28(6)128)62(141)80(38(16-119)169-94)178-99-73(152)67(146)55(134)33(11-114)164-99)41(19-122)172-104(89)184-87-77(156)102(180-82-40(18-121)168-93(48(63(82)142)108-27(5)127)175-78-36(14-117)161-90(157)45(60(78)139)105-24(2)124)174-44(85(87)181-92-46(106-25(3)125)59(138)53(132)31(9-112)162-92)22-159-103-88(185-95-50(110-29(7)129)64(143)81(39(17-120)170-95)179-100-74(153)68(147)56(135)34(12-115)165-100)70(149)58(137)43(173-103)21-158-91-47(107-26(4)126)61(140)79(37(15-118)167-91)177-98-72(151)66(145)54(133)32(10-113)163-98/h23,31-104,112-123,131-157H,9-22H2,1-8H3,(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,130)/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-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+/m0/s1
InChIKeyDPERUDHBSYGDBJ-GBFZUYOXSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846192 (CHEBI:151590) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
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->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-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)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G51956RJGlyTouCan
G51956RJGlyGen