EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:153561 - CID 91862010

Default Structure
ChEBI IDCHEBI:153561
ChEBI NameCID 91862010
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC130H214N8O96
Net Charge0
Average Mass3425.102
Monoisotopic Mass3423.21095
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](O[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]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]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](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](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](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=2.0/7,18,17/[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][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-6-4-2-5-5-2-5-5-7/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_d6-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_k4-o1_l4-m1_m3-n1_o4-p1_p3-q1
InChIInChI=1S/C130H214N8O96/c1-29-65(165)82(182)86(186)117(203-29)201-28-56-101(76(176)59(111(195)204-56)133-32(4)155)220-114-62(136-35(7)158)79(179)98(50(22-149)213-114)223-122-92(192)106(75(175)55(217-122)27-202-125-110(230-116-64(138-37(9)160)81(181)97(51(23-150)215-116)222-121-91(191)105(72(172)45(17-144)208-121)227-119-88(188)84(184)69(169)43(15-142)206-119)89(189)100(53(25-152)216-125)219-113-61(135-34(6)157)78(178)96(49(21-148)212-113)221-120-90(190)104(71(171)44(16-143)207-120)226-118-87(187)83(183)68(168)42(14-141)205-118)228-126-109(229-115-63(137-36(8)159)80(180)99(52(24-151)214-115)225-124-94(194)108(74(174)47(19-146)210-124)234-130(128(198)199)11-39(162)58(132-31(3)154)103(232-130)67(167)41(164)13-140)85(185)70(170)54(218-126)26-200-112-60(134-33(5)156)77(177)95(48(20-147)211-112)224-123-93(193)107(73(173)46(18-145)209-123)233-129(127(196)197)10-38(161)57(131-30(2)153)102(231-129)66(166)40(163)12-139/h29,38-126,139-152,161-195H,10-28H2,1-9H3,(H,131,153)(H,132,154)(H,133,155)(H,134,156)(H,135,157)(H,136,158)(H,137,159)(H,138,160)(H,196,197)(H,198,199)/t29-,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-,109-,110-,111?,112+,113-,114-,115-,116-,117+,118-,119-,120-,121-,122-,123-,124-,125-,126+,129-,130-/m0/s1
InChIKeyAVGGGPBMTGIXNK-BFJZGHGJSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91862010 (CHEBI:153561) 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)-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)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G70868QUGlyGen
G70868QUGlyTouCan