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CHEBI:153620 - CID 91853334

ChEBI IDCHEBI:153620
ChEBI NameCID 91853334
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC96H160N6O69
Net Charge0
Average Mass2502.309
Monoisotopic Mass2500.91956
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/5,14,13/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-2-3-2-3-2-4-5-3-2-4-5/a4-b1_b3-c1_c4-d1_d3-e1_d6-k1_e4-f1_f3-g1_g4-h1_h2-i1_h3-j1_k4-l1_l2-m1_l3-n1
InChIInChI=1S/C96H160N6O69/c1-21-47(120)62(135)66(139)90(146-21)170-81-79(168-85-41(97-23(3)114)56(129)49(122)29(9-103)149-85)53(126)33(13-107)153-95(81)163-73-36(16-110)155-84(43(58(73)131)99-25(5)116)145-20-40-55(128)78(70(143)94(159-40)161-72-38(18-112)156-87(44(60(72)133)100-26(6)117)166-77-52(125)32(12-106)152-93(69(77)142)162-75-35(15-109)148-83(144)65(138)64(75)137)167-89-45(101-27(7)118)59(132)71(37(17-111)157-89)160-92-68(141)76(51(124)31(11-105)151-92)165-88-46(102-28(8)119)61(134)74(39(19-113)158-88)164-96-82(171-91-67(140)63(136)48(121)22(2)147-91)80(54(127)34(14-108)154-96)169-86-42(98-24(4)115)57(130)50(123)30(10-104)150-86/h21-22,29-96,103-113,120-144H,9-20H2,1-8H3,(H,97,114)(H,98,115)(H,99,116)(H,100,117)(H,101,118)(H,102,119)/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
InChIKeyLHSBDDGPKVMZTR-XVGPAJIOSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91853334 (CHEBI:153620) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-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->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G79776GWGlyTouCan
G79776GWGlyGen