CHEBI:149124 - CID 91852179

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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 91852179
ChEBI ID CHEBI:149124
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(182)92(199)95(202)125(222-33)219-31-64-108(86(193)69(119(209)223-64)145-38(6)168)237-122-72(148-41(9)171)89(196)104(57(25-160)229-122)239-127-98(205)113(243-132-118(245-124-74(150-43(11)173)91(198)106(59(27-162)231-124)242-130-101(208)116(84(191)54(22-157)226-130)252-140(136(216)217)15-47(177)68(144-37(5)167)112(249-140)79(186)51(181)19-154)97(204)107(60(28-163)232-132)236-121-71(147-40(8)170)88(195)103(56(24-159)228-121)238-126-96(203)93(200)80(187)63(234-126)32-221-137(133(210)211)12-44(174)65(141-34(2)164)109(246-137)76(183)48(178)16-151)85(192)62(233-127)30-220-131-117(244-123-73(149-42(10)172)90(197)105(58(26-161)230-123)241-129-100(207)115(83(190)53(21-156)225-129)251-139(135(214)215)14-46(176)67(143-36(4)166)111(248-139)78(185)50(180)18-153)94(201)81(188)61(235-131)29-218-120-70(146-39(7)169)87(194)102(55(23-158)227-120)240-128-99(206)114(82(189)52(20-155)224-128)250-138(134(212)213)13-45(175)66(142-35(3)165)110(247-138)77(184)49(179)17-152/h33,44-132,151-163,174-209H,12-32H2,1-11H3,(H,141,164)(H,142,165)(H,143,166)(H,144,167)(H,145,168)(H,146,169)(H,147,170)(H,148,171)(H,149,172)(H,150,173)(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 GSJBMEWCAVYZKB-YHXDWAKOSA-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@]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@]%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 91852179 (CHEBI:149124) 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->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->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->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(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)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_f3-g2_h4-i1_i6-j2_k2-l1_k6-o1_l4-m1_m3-n2_o4-p1_p3-q2 SUBMITTER
Manual Xrefs Databases
G31037WG GlyTouCan
G31037WG GlyGen
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