EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:157129 - CID 146016266

Default Structure
ChEBI IDCHEBI:157129
ChEBI NameCID 146016266
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC101H167N7O73
Net Charge0
Average Mass2647.423
Monoisotopic Mass2645.95707
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](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]5O)[C@H](O)[C@H]4NC(C)=O)[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]4O[C@H](CO)[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](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=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=2.0/6,14,13/[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]/1-1-2-3-1-4-5-1-4-1-3-1-4-6/a4-b1_a6-n1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_k2-l1_l4-m1
InChIInChI=1S/C101H167N7O73/c1-23-52(128)65(141)70(146)93(158-23)155-20-43-81(60(136)46(87(152)159-43)103-25(3)120)172-90-49(106-28(6)123)62(138)79(40(18-117)165-90)176-97-75(151)84(82(177-88-47(104-26(4)121)59(135)54(130)33(11-110)160-88)44(170-97)21-156-98-85(69(145)57(133)36(14-113)163-98)179-91-50(107-29(7)124)63(139)77(38(16-115)166-91)174-95-72(148)67(143)56(132)35(13-112)162-95)178-99-86(74(150)80(41(19-118)168-99)171-89-48(105-27(5)122)61(137)76(37(15-114)164-89)173-94-71(147)66(142)55(131)34(12-111)161-94)180-92-51(108-30(8)125)64(140)78(39(17-116)167-92)175-96-73(149)68(144)58(134)42(169-96)22-157-101(100(153)154)9-31(126)45(102-24(2)119)83(181-101)53(129)32(127)10-109/h23,31-99,109-118,126-152H,9-22H2,1-8H3,(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,153,154)/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+,101+/m0/s1
InChIKeyPYJMGZXIEXWJJI-IZQXWFNUSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146016266 (CHEBI:157129) 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->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)-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G01923XEGlyGen
G01923XEGlyTouCan