CHEBI:154591 - CID 91860653

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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 91860653
ChEBI ID CHEBI:154591
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(183)92(200)94(202)125(221-33)219-32-64-107(86(194)69(119(209)222-64)145-38(6)169)236-122-72(148-41(9)172)89(197)102(57(25-160)229-122)237-126-96(204)112(242-132-118(244-124-74(150-43(11)174)91(199)105(60(28-163)231-124)241-130-100(208)116(84(192)55(23-158)226-130)252-140(136(216)217)15-47(178)68(144-37(5)168)111(248-140)79(187)51(182)19-154)95(203)106(61(29-164)232-132)235-121-71(147-40(8)171)88(196)103(58(26-161)228-121)239-128-98(206)114(82(190)53(21-156)224-128)250-138(134(212)213)13-45(176)66(142-35(3)166)109(246-138)77(185)49(180)17-152)85(193)63(233-126)31-220-131-117(243-123-73(149-42(10)173)90(198)104(59(27-162)230-123)240-129-99(207)115(83(191)54(22-157)225-129)251-139(135(214)215)14-46(177)67(143-36(4)167)110(247-139)78(186)50(181)18-153)93(201)80(188)62(234-131)30-218-120-70(146-39(7)170)87(195)101(56(24-159)227-120)238-127-97(205)113(81(189)52(20-155)223-127)249-137(133(210)211)12-44(175)65(141-34(2)165)108(245-137)76(184)48(179)16-151/h33,44-132,151-164,175-209H,12-32H2,1-11H3,(H,141,165)(H,142,166)(H,143,167)(H,144,168)(H,145,169)(H,146,170)(H,147,171)(H,148,172)(H,149,173)(H,150,174)(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+/m1/s1
InChIKey BUCDWERUCGTHII-APQXSGLUSA-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@]%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 91860653 (CHEBI:154591) 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->3)-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-D-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)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)[D-Fuc(a1-6)]a-GlcNAc SUBMITTER
WURCS=2.0/7,18,17/[a2122h-1a_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][a2112m-1a_1-5]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-2-5-6-7/a4-b1_a6-r1_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_o4-p1_p3-q2 SUBMITTER
Manual Xref Database
G86466QK GlyTouCan
View more database links