CHEBI:153662 - CID 91847772

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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 91847772
ChEBI ID CHEBI:153662
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C134H218N10O98
Net Charge 0
Average Mass 3537.190
Monoisotopic Mass 3535.23823
InChI InChI=1S/C134H218N10O98/c1-32(158)135-63-42(168)11-131(127(202)203,237-105(63)73(176)46(172)15-145)212-30-61-77(180)89(192)92(195)120(224-61)229-100-54(23-153)219-117(70(85(100)188)142-39(8)165)228-104-58(27-157)222-125(113(94(104)197)236-119-72(144-41(10)167)87(190)101(55(24-154)221-119)230-121-93(196)90(193)78(181)62(225-121)31-213-132(128(204)205)12-43(169)64(136-33(2)159)106(238-132)74(177)47(173)16-146)211-29-60-82(185)109(95(198)122(223-60)231-102-56(25-155)218-116(69(86(102)189)141-38(7)164)227-98-52(21-151)214-114(201)67(83(98)186)139-36(5)162)234-126-112(235-118-71(143-40(9)166)88(191)103(57(26-156)220-118)233-124-97(200)111(81(184)51(20-150)216-124)242-134(130(208)209)14-45(171)66(138-35(4)161)108(240-134)76(179)49(175)18-148)91(194)79(182)59(226-126)28-210-115-68(140-37(6)163)84(187)99(53(22-152)217-115)232-123-96(199)110(80(183)50(19-149)215-123)241-133(129(206)207)13-44(170)65(137-34(3)160)107(239-133)75(178)48(174)17-147/h42-126,145-157,168-201H,11-31H2,1-10H3,(H,135,158)(H,136,159)(H,137,160)(H,138,161)(H,139,162)(H,140,163)(H,141,164)(H,142,165)(H,143,166)(H,144,167)(H,202,203)(H,204,205)(H,206,207)(H,208,209)/t42-,43-,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+,131+,132+,133-,134-/m0/s1
InChIKey PPLCQNDVRQCSOP-DTFMWFGQSA-N
SMILES O([C@H]1[C@H](O)[C@H](O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O)[C@H]1O)CO[C@H]4O[C@@H]([C@@H](O[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)[C@H](O)[C@@H]4O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO[C@]%10(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%10)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]8NC(=O)C)CO)CO)[C@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@@H]%11O[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O[C@]%14(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%14)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%13O)CO)[C@H](O)[C@H]%12NC(=O)C)CO)CO[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
ChEBI Ontology
Outgoing CID 91847772 (CHEBI:153662) 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->6)]-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->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc SUBMITTER
WURCS=2.0/5,17,16/[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]/1-1-2-3-1-4-5-1-4-5-3-1-4-5-1-4-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d6-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_k4-o1_l4-m1_m6-n2_o4-p1_p6-q2 SUBMITTER
Manual Xrefs Databases
G74074HU GlyGen
G74074HU GlyTouCan
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