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CHEBI:155131 - CID 91845162

ChEBI IDCHEBI:155131
ChEBI NameCID 91845162
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC102H170N6O73
Net Charge0
Average Mass2648.451
Monoisotopic Mass2646.97747
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=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
InChIInChI=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
InChIKeyCSRDFDLJKBEDGR-PMJMRPNZSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91845162 (CHEBI:155131) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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-hexopyranoseSUBMITTER
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-GlcNAcSUBMITTER
Manual XrefsDatabases
G91550OHGlyGen
G91550OHGlyTouCan