CHEBI:157351 - CID 146016954

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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 146016954
ChEBI ID CHEBI:157351
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
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Formula C104H171N7O76
Net Charge 0
Average Mass 2735.485
Monoisotopic Mass 2733.97311
InChI InChI=1S/C104H171N7O76/c1-24-54(134)67(147)70(150)94(163-24)161-23-46-81(62(142)49(89(156)164-46)107-27(4)125)176-91-51(109-29(6)127)64(144)77(41(18-119)170-91)178-96-73(153)84(61(141)45(174-96)22-162-99-87(69(149)58(138)37(14-115)168-99)182-92-52(110-30(7)128)66(146)79(43(20-121)171-92)180-98-75(155)86(60(140)39(16-117)167-98)187-104(102(159)160)10-33(131)48(106-26(3)124)83(185-104)56(136)35(133)12-113)181-100-88(183-93-53(111-31(8)129)65(145)76(40(17-118)172-93)177-95-71(151)68(148)57(137)36(13-114)165-95)72(152)80(44(21-122)173-100)175-90-50(108-28(5)126)63(143)78(42(19-120)169-90)179-97-74(154)85(59(139)38(15-116)166-97)186-103(101(157)158)9-32(130)47(105-25(2)123)82(184-103)55(135)34(132)11-112/h24,32-100,112-122,130-156H,9-23H2,1-8H3,(H,105,123)(H,106,124)(H,107,125)(H,108,126)(H,109,127)(H,110,128)(H,111,129)(H,157,158)(H,159,160)/t24-,32-,33-,34+,35+,36+,37+,38+,39+,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+,103-,104-/m0/s1
InChIKey TYYYDFROQLEKIG-LQKLGHSESA-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@H]6O)CO)[C@H](O)[C@@H]5NC(=O)C)CO)CO)[C@H]7[C@H](O)[C@H](O[C@@H](O[C@H]8[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]8CO)O[C@H]9[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]9CO[C@@H]%10O[C@H]([C@@H](O)[C@@H](O)[C@@H]%10O)C)O)[C@H]7O)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
ChEBI Ontology
Outgoing CID 146016954 (CHEBI:157351) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
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->4)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-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)-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(b1-4)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc SUBMITTER
WURCS=2.0/6,14,13/[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]/1-1-2-3-1-4-1-4-5-3-1-4-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g4-h1_h3-i2_j2-k1_k4-l1_l3-m2 SUBMITTER
Manual Xrefs Databases
G16150CJ GlyTouCan
G16150CJ GlyGen
View more database links