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CHEBI:154688 - CID 71297994

Default Structure
ChEBI IDCHEBI:154688
ChEBI NameCID 71297994
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC94H157N5O70
Net Charge0
Average Mass2477.255
Monoisotopic Mass2475.88792
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(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]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[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]6O[C@H](CO)[C@H](O)[C@H](O)[C@@H]6O)[C@H]5O)[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]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,14,13/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-4-2-5-6-2-5-6-7/a4-b1_a6-n1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_g6-k1_h4-i1_i3-j1_k4-l1_l3-m1
InChIInChI=1S/C94H157N5O70/c1-20-44(115)58(129)64(135)86(146-20)144-19-38-75(53(124)39(81(142)147-38)95-21(2)110)160-83-41(97-23(4)112)55(126)74(34(15-108)155-83)164-92-70(141)78(167-94-80(62(133)48(119)29(10-103)153-94)169-85-43(99-25(6)114)56(127)72(33(14-107)157-85)161-87-65(136)59(130)45(116)26(7-100)148-87)52(123)37(158-92)18-145-93-79(168-84-42(98-24(5)113)57(128)73(35(16-109)156-84)163-91-69(140)77(51(122)31(12-105)152-91)166-89-67(138)61(132)47(118)28(9-102)150-89)63(134)49(120)36(159-93)17-143-82-40(96-22(3)111)54(125)71(32(13-106)154-82)162-90-68(139)76(50(121)30(11-104)151-90)165-88-66(137)60(131)46(117)27(8-101)149-88/h20,26-94,100-109,115-142H,7-19H2,1-6H3,(H,95,110)(H,96,111)(H,97,112)(H,98,113)(H,99,114)/t20-,26+,27+,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+/m0/s1
InChIKeyVJHIUBIVONADLQ-UOVFVLLOSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297994 (CHEBI:154688) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[alpha-D-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)-[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-D-gluco-hexopyranoseSUBMITTER
Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G86781KHGlyTouCan
G86781KHGlyGen