EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:150108 - CID 71297913

Default Structure
ChEBI IDCHEBI:150108
ChEBI NameCID 71297913
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC172H280N14O122
Net Charge0
Average Mass4496.108
Monoisotopic Mass4493.61363
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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H](O[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]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/8,22,21/[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][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-7-2-5-6-7-4-2-5-6-7-2-5-6-7-8/a4-b1_a6-v1_b4-c1_c3-d1_c6-m1_d2-e1_d4-i1_e4-f1_f3-g2_f4-h1_i4-j1_j3-k2_j4-l1_m2-n1_m6-r1_n4-o1_o3-p2_o4-q1_r4-s1_s3-t2_s4-u1
InChIInChI=1S/C172H280N14O122/c1-41-95(227)116(248)118(250)157(269-41)267-40-80-131(110(242)85(147(257)270-80)177-46(6)209)288-154-92(184-53(13)216)113(245)126(69(29-196)277-154)289-158-120(252)140(298-164-146(300-156-94(186-55(15)218)115(247)129(72(32-199)279-156)293-162-124(256)144(135(77(37-204)283-162)297-152-89(181-50(10)213)109(241)103(235)67(27-194)274-152)308-172(168(264)265)19-59(222)84(176-45(5)208)139(304-172)99(231)63(226)23-190)119(251)130(73(33-200)284-164)287-153-91(183-52(12)215)112(244)127(70(30-197)276-153)291-160-122(254)142(133(75(35-202)281-160)295-150-87(179-48(8)211)107(239)101(233)65(25-192)272-150)306-170(166(260)261)17-57(220)82(174-43(3)206)137(302-170)97(229)61(224)21-188)105(237)79(285-158)39-268-163-145(299-155-93(185-54(14)217)114(246)128(71(31-198)278-155)292-161-123(255)143(134(76(36-203)282-161)296-151-88(180-49(9)212)108(240)102(234)66(26-193)273-151)307-171(167(262)263)18-58(221)83(175-44(4)207)138(303-171)98(230)62(225)22-189)117(249)104(236)78(286-163)38-266-148-90(182-51(11)214)111(243)125(68(28-195)275-148)290-159-121(253)141(132(74(34-201)280-159)294-149-86(178-47(7)210)106(238)100(232)64(24-191)271-149)305-169(165(258)259)16-56(219)81(173-42(2)205)136(301-169)96(228)60(223)20-187/h41,56-164,187-204,219-257H,16-40H2,1-15H3,(H,173,205)(H,174,206)(H,175,207)(H,176,208)(H,177,209)(H,178,210)(H,179,211)(H,180,212)(H,181,213)(H,182,214)(H,183,215)(H,184,216)(H,185,217)(H,186,218)(H,258,259)(H,260,261)(H,262,263)(H,264,265)/t41-,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+,109+,110+,111+,112+,113+,114+,115+,116+,117-,118-,119-,120-,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132-,133-,134-,135-,136+,137+,138+,139+,140-,141+,142+,143+,144+,145-,146-,147?,148+,149-,150-,151-,152-,153-,154-,155-,156-,157+,158-,159-,160-,161-,162-,163-,164+,169-,170-,171-,172-/m0/s1
InChIKeyXSXDBWPRLLNHDJ-GVOCWSQASA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297913 (CHEBI:150108) 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->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-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->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-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->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G40343KHGlyGen
G40343KHGlyTouCan