CHEBI:154685 - CID 91849195

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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 91849195
ChEBI ID CHEBI:154685
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C115H188N8O87
Net Charge 0
Average Mass 3074.738
Monoisotopic Mass 3073.05327
InChI InChI=1S/C115H188N8O87/c1-27-61(150)76(165)81(170)103(187-27)183-24-49-90(71(160)56(98(175)188-49)116-28(2)136)199-100-58(118-30(4)138)73(162)88(43(17-131)192-100)202-106-84(173)94(204-109-97(79(168)65(154)39(13-127)190-109)206-102-60(120-32(6)140)74(163)87(42(16-130)194-102)201-105-83(172)78(167)67(156)48(197-105)26-186-114(111(178)179)8-34(142)54(122-51(148)20-134)92(208-114)63(152)37(145)11-125)70(159)46(195-106)23-184-108-96(205-101-59(119-31(5)139)75(164)89(44(18-132)193-101)203-107-85(174)95(69(158)40(14-128)189-107)210-115(112(180)181)9-35(143)55(123-52(149)21-135)93(209-115)64(153)38(146)12-126)80(169)68(157)45(198-108)22-182-99-57(117-29(3)137)72(161)86(41(15-129)191-99)200-104-82(171)77(166)66(155)47(196-104)25-185-113(110(176)177)7-33(141)53(121-50(147)19-133)91(207-113)62(151)36(144)10-124/h27,33-49,53-109,124-135,141-146,150-175H,7-26H2,1-6H3,(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,147)(H,122,148)(H,123,149)(H,176,177)(H,178,179)(H,180,181)/t27-,33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,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+,113+,114+,115-/m0/s1
InChIKey ULPPEDTYYFQGFK-HYPYPNAJSA-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[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)O)[C@H]1O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O[C@]8(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C8)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO[C@]%11(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C%11)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]9NC(=O)C)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)CO)[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
ChEBI Ontology
Outgoing CID 91849195 (CHEBI:154685) is a polysaccharide (CHEBI:18154)
Synonyms Sources
3,5-dideoxy-5-glycolamido-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)-alpha-D-manno-hexopyranosyl-(1->3)-[3,5-dideoxy-5-glycolamido-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)-[3,5-dideoxy-5-glycolamido-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->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
NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc SUBMITTER
WURCS=2.0/6,15,14/[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*NCCO/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-1-4-5-1-4-5-6/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_h6-l1_i4-j1_j3-k2_l4-m1_m6-n2 SUBMITTER
Manual Xrefs Databases
G86770JF GlyTouCan
G86770JF GlyGen
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