CHEBI:155131 - CID 91845162

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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 91845162
ChEBI ID CHEBI:155131
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C102H170N6O73
Net Charge 0
Average Mass 2648.451
Monoisotopic Mass 2646.97747
InChI InChI=1S/C102H170N6O73/c1-22-49(124)62(137)70(145)94(156-22)154-20-41-79(59(134)43(88(152)159-41)103-25(4)118)171-91-45(105-27(6)120)60(135)78(37(16-115)166-91)173-100-76(151)85(179-102-87(68(143)56(131)35(14-113)164-102)181-92-46(106-28(7)121)61(136)77(36(15-114)167-92)172-97-73(148)65(140)53(128)32(11-110)161-97)82(174-90-44(104-26(5)119)58(133)52(127)31(10-109)160-90)42(170-100)21-155-101-86(180-93-48(108-30(9)123)84(178-96-72(147)64(139)51(126)24(3)158-96)81(39(18-117)168-93)176-99-75(150)67(142)55(130)34(13-112)163-99)69(144)57(132)40(169-101)19-153-89-47(107-29(8)122)83(177-95-71(146)63(138)50(125)23(2)157-95)80(38(17-116)165-89)175-98-74(149)66(141)54(129)33(12-111)162-98/h22-24,31-102,109-117,124-152H,10-21H2,1-9H3,(H,103,118)(H,104,119)(H,105,120)(H,106,121)(H,107,122)(H,108,123)/t22-,23-,24-,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 CSRDFDLJKBEDGR-PMJMRPNZSA-N
SMILES O1[C@@H]([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]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)CO)[C@H](O)[C@@H]1O[C@H]6[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO[C@@H]8O[C@H]([C@@H](O)[C@@H](O)[C@@H]8O)C)O)CO[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O[C@@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO)[C@H](O[C@@H]%12O[C@H]([C@@H](O)[C@@H](O)[C@@H]%12O)C)[C@H]%10NC(=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 91845162 (CHEBI:155131) is a polysaccharide (CHEBI:18154)
Synonyms Sources
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-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)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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
Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc SUBMITTER
WURCS=2.0/5,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-3-1-5-4-1-5-4-5/a4-b1_a6-o1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_e4-f1_h2-i1_h6-l1_i3-j1_i4-k1_l3-m1_l4-n1 SUBMITTER
Manual Xrefs Databases
G91550OH GlyTouCan
G91550OH GlyGen
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