EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:151826 - CID 91846202

Default Structure
ChEBI IDCHEBI:151826
ChEBI NameCID 91846202
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]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](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](O[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]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[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](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/8,18,17/[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][a2112h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-6-4-2-5-7-2-5-7-8/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_k6-o1_l4-m1_m3-n1_o4-p1_p3-q1
InChIInChI=1S/C130H214N8O96/c1-29-65(164)82(181)87(186)117(204-29)201-27-56-102(76(175)59(111(195)205-56)133-32(4)154)221-114-62(136-35(7)157)79(178)99(49(21-148)213-114)225-123-94(193)107(75(174)54(217-123)26-202-125-109(230-115-63(137-36(8)158)81(180)98(51(23-150)214-115)224-122-93(192)106(73(172)45(17-144)209-122)228-119-89(188)84(183)69(168)43(15-142)207-119)86(185)71(170)53(219-125)25-200-112-60(134-33(5)155)77(176)96(47(19-146)211-112)223-121-92(191)105(72(171)44(16-143)208-121)227-118-88(187)83(182)68(167)42(14-141)206-118)229-126-110(231-116-64(138-37(9)159)80(179)97(48(20-147)215-116)222-120-90(189)85(184)70(169)55(218-120)28-203-129(127(196)197)10-38(160)57(131-30(2)152)103(232-129)66(165)40(162)12-139)91(190)101(52(24-151)216-126)220-113-61(135-34(6)156)78(177)100(50(22-149)212-113)226-124-95(194)108(74(173)46(18-145)210-124)234-130(128(198)199)11-39(161)58(132-31(3)153)104(233-130)67(166)41(163)13-140/h29,38-126,139-151,160-195H,10-28H2,1-9H3,(H,131,152)(H,132,153)(H,133,154)(H,134,155)(H,135,156)(H,136,157)(H,137,158)(H,138,159)(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
InChIKeyLEIUAQNWTNQWJH-HADHMSAFSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846202 (CHEBI:151826) 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)-[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->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[alpha-D-galacto-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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G49084JYGlyTouCan
G49084JYGlyGen