CHEBI:157026 - CID 146015555

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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 146015555
ChEBI ID CHEBI:157026
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C157H257N11O114
Net Charge 0
Average Mass 4122.746
Monoisotopic Mass 4120.46511
InChI InChI=1S/C157H257N11O114/c1-36-82(203)102(223)105(226)142(245-36)243-35-70-122(94(215)74(134(235)246-70)161-40(5)189)264-137-77(164-43(8)192)97(218)117(62(27-180)255-137)268-146-110(231)128(274-151-133(276-141-81(168-47(12)196)101(222)120(66(31-184)259-141)271-149-113(234)131(92(213)59(24-177)252-149)282-157(154(240)241)15-50(199)73(160-39(4)188)125(279-157)85(206)53(202)18-171)107(228)121(67(32-185)260-151)263-136-76(163-42(7)191)96(217)118(63(28-181)254-136)269-147-111(232)129(90(211)57(22-175)250-147)280-155(152(236)237)13-48(197)71(158-37(2)186)123(277-155)83(204)51(200)16-169)93(214)69(261-146)34-244-150-132(104(225)87(208)68(262-150)33-242-135-75(162-41(6)190)95(216)114(60(25-178)253-135)266-144-108(229)126(88(209)55(20-173)248-144)272-138-78(165-44(9)193)98(219)115(61(26-179)256-138)265-143-106(227)103(224)86(207)54(19-172)247-143)275-140-80(167-46(11)195)100(221)116(65(30-183)258-140)267-145-109(230)127(89(210)56(21-174)249-145)273-139-79(166-45(10)194)99(220)119(64(29-182)257-139)270-148-112(233)130(91(212)58(23-176)251-148)281-156(153(238)239)14-49(198)72(159-38(3)187)124(278-156)84(205)52(201)17-170/h36,48-151,169-185,197-235H,13-35H2,1-12H3,(H,158,186)(H,159,187)(H,160,188)(H,161,189)(H,162,190)(H,163,191)(H,164,192)(H,165,193)(H,166,194)(H,167,195)(H,168,196)(H,236,237)(H,238,239)(H,240,241)/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-,147-,148-,149-,150-,151+,155-,156-,157-/m0/s1
InChIKey PYHFPCDZTXEUMN-DJCGSCCHSA-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@@H]%15O[C@@H]([C@@H](O[C@@H]%16O[C@@H]([C@H](O)[C@@H](O[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]%16O)CO)[C@H](O)[C@H]%15NC(=O)C)CO)[C@@H]%14O)CO)[C@H](O)[C@H]%13NC(=O)C)CO)CO[C@@H]%18O[C@@H]([C@@H](O[C@@H]%19O[C@@H]([C@H](O)[C@H](O[C@@H]%20O[C@@H]([C@@H](O[C@@H]%21O[C@@H]([C@H](O)[C@H](O)[C@H]%21O)CO)[C@H](O)[C@H]%20NC(=O)C)CO)[C@H]%19O)CO)[C@H](O)[C@H]%18NC(=O)C)CO
ChEBI Ontology
Outgoing CID 146015555 (CHEBI:157026) 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)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[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)]-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)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)]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]/1-1-2-3-1-4-5-1-4-5-3-1-4-1-4-5-1-4-1-4-6/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-q1_l4-m1_m3-n1_n4-o1_o3-p2_q4-r1_r3-s1_s4-t1 SUBMITTER
Manual Xrefs Databases
G82410AF GlyGen
G82410AF GlyTouCan
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