CHEBI:147785 - CID 91850176

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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 91850176
ChEBI ID CHEBI:147785
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C113H182N10O81
Net Charge 0
Average Mass 2976.688
Monoisotopic Mass 2975.04298
InChI InChI=1S/C113H182N10O81/c1-29(133)114-57-39(143)11-109(104(170)171,200-88(57)67(153)44(148)16-124)180-25-53-72(158)87(66(96(169)184-53)123-38(10)142)195-97-62(119-34(6)138)76(162)83(49(21-129)185-97)192-101-80(166)93(73(159)54(189-101)26-181-110(105(172)173)12-40(144)58(115-30(2)134)89(201-110)68(154)45(149)17-125)196-98-63(120-35(7)139)77(163)84(50(22-130)186-98)193-102-81(167)94(74(160)55(190-102)27-182-111(106(174)175)13-41(145)59(116-31(3)135)90(202-111)69(155)46(150)18-126)197-99-64(121-36(8)140)78(164)85(51(23-131)187-99)194-103-82(168)95(75(161)56(191-103)28-183-112(107(176)177)14-42(146)60(117-32(4)136)91(203-112)70(156)47(151)19-127)198-100-65(122-37(9)141)79(165)86(52(24-132)188-100)199-113(108(178)179)15-43(147)61(118-33(5)137)92(204-113)71(157)48(152)20-128/h39-103,124-132,143-169H,11-28H2,1-10H3,(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,178,179)/t39-,40-,41-,42-,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-,109+,110+,111+,112+,113+/m0/s1
InChIKey VEGJEONKPNGXEG-IQNCXCHSSA-N
SMILES O([C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)O[C@H]5[C@@H](O)[C@H](O[C@H](O)[C@@H]5NC(=O)C)CO[C@]6(O[C@H]([C@H](NC(=O)C)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)O[C@@H]([C@@H]3O)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)O[C@@H]2CO)O[C@@H]([C@@H]1O)CO[C@]8(O[C@H]([C@H](NC(=O)C)[C@@H](O)C8)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O[C@@H]%11O[C@@H]([C@@H](O[C@]%12(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%12)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]%11NC(=O)C)CO)[C@H]%10O)CO[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]9NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91850176 (CHEBI:147785) is a polysaccharide (CHEBI:18154)
Synonyms Sources
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->4)-2-acetamido-2-deoxy-beta-D-gluco-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->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->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->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose SUBMITTER
NeuAc(a2-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]a-GalNAc SUBMITTER
WURCS=2.0/4,13,12/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3-2-3-2-4-4-4-4-4/a3-b1_a6-m2_b4-c1_c3-d1_c6-l2_d4-e1_e3-f1_e6-k2_f4-g1_g3-h1_g6-j2_h4-i2 SUBMITTER
Manual Xrefs Databases
G12121CY GlyTouCan
G12121CY GlyGen
View more database links