CHEBI:149365 - CID 91861843

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 91861843
ChEBI ID CHEBI:149365
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C99H164N6O72
Net Charge 0
Average Mass 2590.371
Monoisotopic Mass 2588.93560
InChI InChI=1S/C99H164N6O72/c1-22-49(123)62(136)68(142)90(154-22)151-20-42-77(58(132)44(85(148)156-42)101-25(4)116)167-86-45(102-26(5)117)59(133)76(37(16-112)161-86)170-95-73(147)82(174-97-84(67(141)54(128)34(13-109)160-97)176-88-47(104-28(7)119)60(134)74(36(15-111)163-88)168-93-71(145)65(139)55(129)41(166-93)21-153-99(98(149)150)9-30(121)43(100-24(3)115)79(177-99)51(125)31(122)10-106)57(131)40(165-95)19-152-96-83(66(140)53(127)33(12-108)159-96)175-87-46(103-27(6)118)61(135)75(38(17-113)162-87)169-94-72(146)81(56(130)35(14-110)158-94)173-89-48(105-29(8)120)80(172-91-69(143)63(137)50(124)23(2)155-91)78(39(18-114)164-89)171-92-70(144)64(138)52(126)32(11-107)157-92/h22-23,30-97,106-114,121-148H,9-21H2,1-8H3,(H,100,115)(H,101,116)(H,102,117)(H,103,118)(H,104,119)(H,105,120)(H,149,150)/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+,99+/m0/s1
InChIKey FBKYPMWPLBBLBJ-XZLZVYHOSA-N
SMILES O([C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@H]1NC(=O)C)CO)[C@@H]4[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](OC[C@H]7O[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](O)[C@@H](O[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@H]%13O)CO[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](O)[C@H]%12NC(=O)C)CO)CO)[C@@H]7O)O[C@@H]([C@@H](O)[C@@H]6O)CO)O[C@@H]([C@@H]4O)CO
ChEBI Ontology
Outgoing CID 91861843 (CHEBI:149365) 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->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[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)-alpha-D-manno-hexopyranosyl-(1->3)]-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
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]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]/1-1-2-3-1-4-5-3-1-4-1-6-4-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_i4-j1_j3-k1_k3-l1_k4-m1 SUBMITTER
Manual Xrefs Databases
G33608TH GlyTouCan
G33608TH GlyGen
View more database links