CHEBI:152233 - CID 91851610

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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 91851610
ChEBI ID CHEBI:152233
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C140H228N10O102
Net Charge 0
Average Mass 3683.332
Monoisotopic Mass 3681.29614
InChI InChI=1S/C140H228N10O102/c1-33-75(180)92(197)97(202)125(224-33)219-29-64-110(86(191)69(119(209)225-64)145-38(6)166)239-122-72(148-41(9)169)89(194)108(57(25-160)229-122)243-129-102(207)115(245-132-118(247-124-74(150-43(11)171)91(196)107(56(24-159)231-124)242-128-100(205)95(200)82(187)63(236-128)32-223-139(135(214)215)14-46(174)67(143-36(4)164)113(250-139)78(183)50(178)18-153)101(206)109(58(26-161)232-132)238-121-71(147-40(8)168)88(193)105(54(22-157)228-121)240-126-98(203)93(198)80(185)61(234-126)30-221-137(133(210)211)12-44(172)65(141-34(2)162)111(248-137)76(181)48(176)16-151)85(190)60(233-129)28-220-131-117(246-123-73(149-42(10)170)90(195)106(55(23-158)230-123)241-127-99(204)94(199)81(186)62(235-127)31-222-138(134(212)213)13-45(173)66(142-35(3)163)112(249-138)77(182)49(177)17-152)96(201)83(188)59(237-131)27-218-120-70(146-39(7)167)87(192)104(53(21-156)227-120)244-130-103(208)116(84(189)52(20-155)226-130)252-140(136(216)217)15-47(175)68(144-37(5)165)114(251-140)79(184)51(179)19-154/h33,44-132,151-161,172-209H,12-32H2,1-11H3,(H,141,162)(H,142,163)(H,143,164)(H,144,165)(H,145,166)(H,146,167)(H,147,168)(H,148,169)(H,149,170)(H,150,171)(H,210,211)(H,212,213)(H,214,215)(H,216,217)/t33-,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-,127-,128-,129-,130-,131-,132+,137+,138+,139+,140-/m0/s1
InChIKey WHKUSCYSNGZFTC-JTUQWWSISA-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@H]3O)CO[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](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[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]%14O)CO[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](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@]%18(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%18)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%17O)CO)[C@H](O)[C@H]%16NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91851610 (CHEBI:152233) is a polysaccharide (CHEBI:18154)
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->6)-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->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-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc SUBMITTER
WURCS=2.0/6,18,17/[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]/1-1-2-3-1-4-5-1-4-5-3-1-4-5-1-4-5-6/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_k6-o1_l4-m1_m6-n2_o4-p1_p3-q2 SUBMITTER
Manual Xrefs Databases
G60814ZB GlyGen
G60814ZB GlyTouCan
View more database links