CHEBI:155759 - CID 91853067

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 91853067
ChEBI ID CHEBI:155759
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C154H251N11O112
Net Charge 0
Average Mass 4048.667
Monoisotopic Mass 4046.42833
InChI InChI=1S/C154H251N11O112/c1-36-82(201)101(220)103(222)138(242-36)240-34-69-117(94(213)75(131(230)243-69)159-41(6)186)259-134-78(162-44(9)189)97(216)112(63(28-177)252-134)261-140-106(225)124(267-146-130(269-136-80(164-46(11)191)99(218)115(66(31-180)254-136)264-143-109(228)127(91(210)60(25-174)247-143)276-153(149(235)236)15-50(195)73(157-39(4)184)121(272-153)85(204)54(199)19-168)104(223)116(67(32-181)255-146)258-133-77(161-43(8)188)96(215)113(64(29-178)251-133)262-141-107(226)125(89(208)58(23-172)245-141)274-151(147(231)232)13-48(193)71(155-37(2)182)119(270-151)83(202)52(197)17-166)93(212)68(256-140)33-241-145-129(102(221)87(206)56(21-170)249-145)268-137-81(165-47(12)192)100(219)118(265-144-110(229)128(92(211)61(26-175)248-144)277-154(150(237)238)16-51(196)74(158-40(5)185)122(273-154)86(205)55(200)20-169)70(257-137)35-239-132-76(160-42(7)187)95(214)111(62(27-176)250-132)260-139-105(224)123(88(207)57(22-171)244-139)266-135-79(163-45(10)190)98(217)114(65(30-179)253-135)263-142-108(227)126(90(209)59(24-173)246-142)275-152(148(233)234)14-49(194)72(156-38(3)183)120(271-152)84(203)53(198)18-167/h36,48-146,166-181,193-230H,13-35H2,1-12H3,(H,155,182)(H,156,183)(H,157,184)(H,158,185)(H,159,186)(H,160,187)(H,161,188)(H,162,189)(H,163,190)(H,164,191)(H,165,192)(H,231,232)(H,233,234)(H,235,236)(H,237,238)/t36-,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-,127-,128-,129-,130-,131?,132+,133-,134-,135-,136-,137-,138+,139-,140-,141-,142-,143-,144-,145-,146+,151-,152-,153-,154-/m0/s1
InChIKey ASDWKZRXYYYBKO-YABWDZRMSA-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@]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]6O)CO)[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(O[C@@H]%10CO[C@@H]%11O[C@H]([C@@H](O)[C@@H](O)[C@@H]%11O)C)O)[C@H]8O)CO[C@H]%12O[C@@H]([C@@H](O)[C@H](O)[C@@H]%12O[C@@H]%13O[C@@H]([C@@H](O[C@@H]%14O[C@@H]([C@H](O)[C@H](O[C@]%15(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%15)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%14O)CO)[C@H](O)[C@H]%13NC(=O)C)CO[C@@H]%16O[C@@H]([C@@H](O[C@@H]%17O[C@@H]([C@H](O)[C@H](O[C@@H]%18O[C@@H]([C@@H](O[C@@H]%19O[C@@H]([C@H](O)[C@H](O[C@]%20(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%20)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%19O)CO)[C@H](O)[C@H]%18NC(=O)C)CO)[C@H]%17O)CO)[C@H](O)[C@H]%16NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 91853067 (CHEBI:155759) is a polysaccharide (CHEBI:18154)
Synonyms Sources
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->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[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)-alpha-D-manno-hexopyranosyl-(1->6)-[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->4)]-alpha-D-manno-hexopyranosyl-(1->3)]-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-hexopyranose SUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[NeuAc(a2-3)Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc SUBMITTER
WURCS=2.0/7,20,19/[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]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-2-5-2-5-6-7/a4-b1_a6-t1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_l4-m1_l6-o1_m3-n2_o4-p1_p3-q1_q4-r1_r3-s2 SUBMITTER
Manual Xrefs Databases
G99729IU GlyGen
G99729IU GlyTouCan
View more database links