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CHEBI:148397 - CID 91860888

ChEBI IDCHEBI:148397
ChEBI NameCID 91860888
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](NC(C)=O)C(O)O[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[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](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[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]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=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]/1-2-3-4-2-5-6-2-4-2-6-2-6-5/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_d4-h1_e3-f1_e4-g1_i2-j1_i6-l1_j4-k1_l4-m1
InChIInChI=1S/C96H160N6O69/c1-21-47(118)60(131)66(137)89(148-21)146-20-40-77(56(127)41(83(144)150-40)97-23(3)112)163-86-44(100-26(6)115)58(129)75(35(15-109)156-86)166-94-72(143)80(169-96-82(71(142)76(36(16-110)159-96)162-85-42(98-24(4)113)55(126)49(120)29(9-103)151-85)171-88-46(102-28(8)117)79(168-90-67(138)61(132)48(119)22(2)149-90)78(37(17-111)158-88)167-93-70(141)64(135)52(123)32(12-106)154-93)54(125)39(160-94)19-147-95-81(170-87-45(101-27(7)116)59(130)74(34(14-108)157-87)165-92-69(140)63(134)51(122)31(11-105)153-92)65(136)53(124)38(161-95)18-145-84-43(99-25(5)114)57(128)73(33(13-107)155-84)164-91-68(139)62(133)50(121)30(10-104)152-91/h21-22,29-96,103-111,118-144H,9-20H2,1-8H3,(H,97,112)(H,98,113)(H,99,114)(H,100,115)(H,101,116)(H,102,117)/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
InChIKeyJWZTYHRJUIZQSI-QIGZNEBQSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91860888 (CHEBI:148397) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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)-[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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G22043HZGlyTouCan
G22043HZGlyGen