EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:153666 - CID 71297948

Default Structure
ChEBI IDCHEBI:153666
ChEBI NameCID 71297948
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC96H160N6O70
Net Charge0
Average Mass2518.308
Monoisotopic Mass2516.91447
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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)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]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]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[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]2O)[C@@H]1O
WURCSWURCS=2.0/6,14,13/[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][a1221m-1a_1-5]/1-2-3-4-2-5-4-2-5-2-5-2-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_g6-l1_h4-i1_i3-j1_j4-k1_l4-m1
InChIInChI=1S/C96H160N6O70/c1-21-47(119)61(133)67(139)89(149-21)147-20-40-78(55(127)41(83(145)150-40)97-22(2)113)163-85-43(99-24(4)115)57(129)77(36(16-111)157-85)168-94-72(144)80(170-96-82(65(137)51(123)31(11-106)155-96)172-88-46(102-27(7)118)59(131)75(35(15-110)160-88)166-92-70(142)64(136)50(122)30(10-105)153-92)54(126)39(161-94)19-148-95-81(66(138)52(124)38(162-95)18-146-84-42(98-23(3)114)56(128)73(33(13-108)156-84)164-90-68(140)62(134)48(120)28(8-103)151-90)171-87-45(101-26(6)117)60(132)76(37(17-112)159-87)167-93-71(143)79(53(125)32(12-107)154-93)169-86-44(100-25(5)116)58(130)74(34(14-109)158-86)165-91-69(141)63(135)49(121)29(9-104)152-91/h21,28-96,103-112,119-145H,8-20H2,1-7H3,(H,97,113)(H,98,114)(H,99,115)(H,100,116)(H,101,117)(H,102,118)/t21-,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-,96+/m0/s1
InChIKeyHUIJKRSHDHKNFQ-PUELVINCSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297948 (CHEBI:153666) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
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)-[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(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[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
G79916NTGlyTouCan
G79916NTGlyGen