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CHEBI:152950 - CID 91850865

Default Structure
ChEBI IDCHEBI:152950
ChEBI NameCID 91850865
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H173N7O74
Net Charge0
Average Mass2705.503
Monoisotopic Mass2703.99893
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]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]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](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]/1-2-3-4-2-5-6-2-2-4-2-6-2-5-6/a4-b1_b4-c1_c3-d1_c4-i1_c6-j1_d2-e1_d4-h1_e3-f1_e4-g1_j2-k1_j6-m1_k4-l1_m3-n1_m4-o1
InChIInChI=1S/C104H173N7O74/c1-23-52(130)65(143)71(149)97(159-23)181-85-50(110-30(8)128)91(167-41(19-121)82(85)179-100-74(152)68(146)57(135)35(13-115)165-100)157-21-43-59(137)70(148)88(184-95-49(109-29(7)127)64(142)79(38(16-118)169-95)176-99-73(151)67(145)56(134)34(12-114)164-99)103(172-43)158-22-44-84(178-93-47(107-27(5)125)61(139)55(133)33(11-113)163-93)87(77(155)102(173-44)177-80-39(17-119)168-94(48(63(80)141)108-28(6)126)174-78-37(15-117)161-90(156)45(62(78)140)105-25(3)123)183-104-89(76(154)81(40(18-120)171-104)175-92-46(106-26(4)124)60(138)54(132)32(10-112)162-92)185-96-51(111-31(9)129)86(182-98-72(150)66(144)53(131)24(2)160-98)83(42(20-122)170-96)180-101-75(153)69(147)58(136)36(14-116)166-101/h23-24,32-104,112-122,130-156H,10-22H2,1-9H3,(H,105,123)(H,106,124)(H,107,125)(H,108,126)(H,109,127)(H,110,128)(H,111,129)/t23-,24-,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
InChIKeyGCJOPXCDLROISC-UJPMBRJRSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91850865 (CHEBI:152950) 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)-[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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[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)[GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G67358ECGlyGen
G67358ECGlyTouCan