CHEBI:148179 - CID 91849225

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 91849225
ChEBI ID CHEBI:148179
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C96H160N6O69
Net Charge 0
Average Mass 2502.309
Monoisotopic Mass 2500.91956
InChI InChI=1S/C96H160N6O69/c1-21-47(119)59(131)65(137)89(147-21)167-78-45(101-27(7)117)84(154-37(17-111)76(78)165-92-68(140)62(134)51(123)31(11-105)152-92)145-19-39-53(125)64(136)81(170-87-44(100-26(6)116)58(130)73(34(14-108)156-87)163-91-67(139)61(133)50(122)30(10-104)151-91)95(160-39)146-20-40-54(126)80(71(143)94(159-40)164-74-35(15-109)155-86(43(57(74)129)99-25(5)115)161-72-33(13-107)149-83(144)41(56(72)128)97-23(3)113)169-96-82(70(142)75(36(16-110)158-96)162-85-42(98-24(4)114)55(127)49(121)29(9-103)150-85)171-88-46(102-28(8)118)79(168-90-66(138)60(132)48(120)22(2)148-90)77(38(18-112)157-88)166-93-69(141)63(135)52(124)32(12-106)153-93/h21-22,29-96,103-112,119-144H,9-20H2,1-8H3,(H,97,113)(H,98,114)(H,99,115)(H,100,116)(H,101,117)(H,102,118)/t21-,22-,29+,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+/m0/s1
InChIKey FYXPYKKYVZCANU-JCGVAQRGSA-N
SMILES O([C@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H]1O[C@H]3[C@H](O)[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](NC(=O)C)C(O[C@@H]5CO)O)[C@H]3O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO)[C@H](O)[C@H]7NC(=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@H](O[C@@H]%11O[C@H]([C@@H](O)[C@@H](O)[C@@H]%11O)C)[C@H]9NC(=O)C)CO)CO)[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O)[C@H]%13O)CO)[C@H](O[C@@H]%14O[C@H]([C@@H](O)[C@@H](O)[C@@H]%14O)C)[C@H]%12NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91849225 (CHEBI:148179) 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)-[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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[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)-2-acetamido-2-deoxy-D-gluco-hexopyranose SUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc SUBMITTER
WURCS=2.0/6,14,13/[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]/1-2-3-4-2-5-6-2-4-2-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_d4-h1_e3-f1_e4-g1_i2-j1_i6-l1_j4-k1_l3-m1_l4-n1 SUBMITTER
Manual Xrefs Databases
G13646GG GlyTouCan
G13646GG GlyGen
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