CHEBI:147568 - CID 91853490

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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 91853490
ChEBI ID CHEBI:147568
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C102H170N6O74
Net Charge 0
Average Mass 2664.450
Monoisotopic Mass 2662.97238
InChI InChI=1S/C102H170N6O74/c1-22-49(125)62(138)69(145)94(157-22)155-21-42-82(57(133)43(88(153)159-42)103-24(3)119)173-91-46(106-27(6)122)60(136)80(37(16-116)166-91)177-100-76(152)85(56(132)41(170-100)20-156-101-86(181-92-47(107-28(7)123)61(137)79(36(15-115)167-92)176-98-73(149)66(142)53(129)32(11-111)162-98)68(144)55(131)40(171-101)19-154-89-44(104-25(4)120)58(134)77(34(13-113)164-89)174-96-71(147)64(140)51(127)30(9-109)160-96)180-102-87(75(151)81(38(17-117)169-102)172-90-45(105-26(5)121)59(135)78(35(14-114)165-90)175-97-72(148)65(141)52(128)31(10-110)161-97)182-93-48(108-29(8)124)84(179-95-70(146)63(139)50(126)23(2)158-95)83(39(18-118)168-93)178-99-74(150)67(143)54(130)33(12-112)163-99/h22-23,30-102,109-118,125-153H,9-21H2,1-8H3,(H,103,119)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,124)/t22-,23-,30+,31+,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-,101-,102+/m0/s1
InChIKey RAFLKCLDHHYOOE-QDKLUOBTSA-N
SMILES O([C@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H]1O[C@H]4[C@H](O)[C@H](O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]6CO[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)O)[C@H]4O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)CO)[C@@H]%13O[C@@H]([C@@H](O[C@@H]%14O[C@@H]([C@H](O)[C@H](O)[C@H]%14O)CO)[C@H](O[C@@H]%15O[C@H]([C@@H](O)[C@@H](O)[C@@H]%15O)C)[C@H]%13NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91853490 (CHEBI:147568) is a polysaccharide (CHEBI:18154)
Synonyms Sources
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[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-D-gluco-hexopyranose SUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc SUBMITTER
WURCS=2.0/6,15,14/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-6-2-6-4-2-6-2-6-5/a4-b1_a6-o1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_j2-k1_j6-m1_k4-l1_m4-n1 SUBMITTER
Manual Xrefs Databases
G14077SN GlyGen
G14077SN GlyTouCan
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