CHEBI:157534 - CID 146017606

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 146017606
ChEBI ID CHEBI:157534
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C160H261N11O116
Net Charge 0
Average Mass 4194.809
Monoisotopic Mass 4192.48624
InChI InChI=1S/C160H261N11O116/c1-37-84(207)103(226)106(229)143(250-37)248-36-72-121(97(220)77(136(238)252-72)165-43(7)192)268-139-79(167-45(9)194)99(222)115(63(27-181)260-139)269-146-110(233)129(277-152-135(279-142-82(170-48(12)197)102(225)119(67(31-185)263-142)273-150-114(237)133(95(218)62(26-180)257-150)287-160(156(245)246)17-53(202)76(164-42(6)191)126(283-160)89(212)57(206)21-175)108(231)120(68(32-186)264-152)267-138-78(166-44(8)193)98(221)116(64(28-182)259-138)270-147-111(234)130(92(215)59(23-177)254-147)284-157(153(239)240)14-50(199)73(161-39(3)188)123(280-157)86(209)54(203)18-172)96(219)71(265-146)35-249-151-134(278-141-81(169-47(11)196)101(224)118(66(30-184)262-141)272-149-113(236)132(94(217)61(25-179)256-149)286-159(155(243)244)16-52(201)75(163-41(5)190)125(282-159)88(211)56(205)20-174)105(228)90(213)70(266-151)34-247-137-83(171-49(13)198)127(275-144-107(230)104(227)85(208)38(2)251-144)122(69(33-187)258-137)274-145-109(232)128(91(214)58(22-176)253-145)276-140-80(168-46(10)195)100(223)117(65(29-183)261-140)271-148-112(235)131(93(216)60(24-178)255-148)285-158(154(241)242)15-51(200)74(162-40(4)189)124(281-158)87(210)55(204)19-173/h37-38,50-152,172-187,199-238H,14-36H2,1-13H3,(H,161,188)(H,162,189)(H,163,190)(H,164,191)(H,165,192)(H,166,193)(H,167,194)(H,168,195)(H,169,196)(H,170,197)(H,171,198)(H,239,240)(H,241,242)(H,243,244)(H,245,246)/t37-,38-,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-,147-,148-,149-,150-,151-,152+,157-,158-,159-,160-/m0/s1
InChIKey MFPZAQDVZPWURV-PRHVPJJHSA-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@@H](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)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]%21O[C@H]([C@@H](O)[C@@H](O)[C@@H]%21O)C)[C@H]%16NC(=O)C)CO
ChEBI Ontology
Outgoing CID 146017606 (CHEBI:157534) 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->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-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-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]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)]b-GlcNAc SUBMITTER
WURCS=2.0/6,21,20/[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]/1-1-2-3-1-4-5-1-4-5-3-1-4-5-1-6-4-1-4-5-6/a4-b1_a6-u1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_k6-o1_l4-m1_m3-n2_o3-p1_o4-q1_q3-r1_r4-s1_s3-t2 SUBMITTER
Manual Xrefs Databases
G03754YM GlyTouCan
G03754YM GlyGen
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