CHEBI:155459 - CID 91848389

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name CID 91848389
ChEBI ID CHEBI:155459
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C134H218N10O98
Net Charge 0
Average Mass 3537.190
Monoisotopic Mass 3535.23823
InChI InChI=1S/C134H218N10O98/c1-32(157)135-63-42(167)11-131(127(202)203,238-106(63)73(175)46(171)15-145)212-29-60-77(179)89(191)93(195)120(224-60)230-100-52(21-151)217-115(68(84(100)186)140-37(6)162)210-27-58-80(182)92(194)112(236-118-71(143-40(9)165)87(189)101(53(22-152)220-118)231-121-94(196)90(192)78(180)61(225-121)30-213-132(128(204)205)12-43(168)64(136-33(2)158)107(239-132)74(176)47(172)16-146)125(227-58)211-28-59-82(184)110(97(199)123(223-59)233-103-55(24-154)218-116(69(85(103)187)141-38(7)163)228-99-51(20-150)215-114(201)67(83(99)185)139-36(5)161)235-126-113(237-119-72(144-41(10)166)88(190)102(54(23-153)221-119)232-122-95(197)91(193)79(181)62(226-122)31-214-133(129(206)207)13-44(169)65(137-34(3)159)108(240-133)75(177)48(173)17-147)96(198)105(57(26-156)222-126)229-117-70(142-39(8)164)86(188)104(56(25-155)219-117)234-124-98(200)111(81(183)50(19-149)216-124)242-134(130(208)209)14-45(170)66(138-35(4)160)109(241-134)76(178)49(174)18-148/h42-126,145-156,167-201H,11-31H2,1-10H3,(H,135,157)(H,136,158)(H,137,159)(H,138,160)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H,143,165)(H,144,166)(H,202,203)(H,204,205)(H,206,207)(H,208,209)/t42-,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+,131+,132+,133+,134-/m0/s1
InChIKey PTBBAXMKMJVFQU-WEOJSMEMSA-N
SMILES O([C@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]5NC(=O)C)CO)CO)[C@H]8[C@H](O)[C@H](O[C@@H](O[C@H]9[C@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]9CO)O[C@H]%10[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%10CO)O)[C@H]8O)CO[C@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@@H]%11O[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O)[C@H]%13O)CO[C@]%14(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%14)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]%12NC(=O)C)CO)CO[C@@H]%15O[C@@H]([C@@H](O[C@@H]%16O[C@@H]([C@H](O)[C@H](O)[C@H]%16O)CO[C@]%17(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%17)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]%15NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91848389 (CHEBI:155459) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
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)-[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->6)-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)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc SUBMITTER
WURCS=2.0/5,17,16/[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]/1-1-2-3-1-4-5-1-4-5-3-1-4-5-1-4-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_k6-o1_l4-m1_m6-n2_o4-p1_p6-q2 SUBMITTER
Manual Xrefs Databases
G92848CF GlyTouCan
G92848CF GlyGen
View more database links