EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:157328 - CID 146017187

Default Structure
ChEBI IDCHEBI:157328
ChEBI NameCID 146017187
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H184N8O81
Net Charge0
Average Mass2938.679
Monoisotopic Mass2937.05248
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]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO[C@]9(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O9)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=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]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O8)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/6,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-1-4-5-1-4-1-4-5-6/a4-b1_a6-o1_b4-c1_c6-d1_d2-e1_d6-j1_e4-f1_f3-g1_g4-h1_h6-i2_j4-k1_k3-l1_l4-m1_m6-n2
InChIInChI=1S/C112H184N8O81/c1-26-59(142)74(157)79(162)102(178-26)174-23-50-90(68(151)53(96(168)179-50)115-29(4)132)191-98-55(117-31(6)134)70(153)86(42(17-126)183-98)192-103-80(163)75(158)62(145)46(187-103)22-175-108-95(199-101-58(120-34(9)137)73(156)89(45(20-129)186-101)196-107-84(167)94(67(150)40(15-124)181-107)198-100-57(119-33(8)136)72(155)88(44(19-128)185-100)194-105-82(165)77(160)64(147)49(189-105)25-177-112(110(171)172)11-36(139)52(114-28(3)131)92(201-112)61(144)38(141)13-122)78(161)65(148)47(190-108)21-173-97-54(116-30(5)133)69(152)85(41(16-125)182-97)195-106-83(166)93(66(149)39(14-123)180-106)197-99-56(118-32(7)135)71(154)87(43(18-127)184-99)193-104-81(164)76(159)63(146)48(188-104)24-176-111(109(169)170)10-35(138)51(113-27(2)130)91(200-111)60(143)37(140)12-121/h26,35-108,121-129,138-168H,10-25H2,1-9H3,(H,113,130)(H,114,131)(H,115,132)(H,116,133)(H,117,134)(H,118,135)(H,119,136)(H,120,137)(H,169,170)(H,171,172)/t26-,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-,105-,106-,107-,108-,111+,112+/m0/s1
InChIKeyJNRYUXCAPHJABJ-ITNGDGEJSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146017187 (CHEBI:157328) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-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)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-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->6)]-alpha-D-manno-hexopyranosyl-(1->6)-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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G06983UAGlyTouCan