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CHEBI:148967 - CID 71297831

ChEBI IDCHEBI:148967
ChEBI NameCID 71297831
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC98H161N7O72
Net Charge0
Average Mass2589.343
Monoisotopic Mass2587.91520
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)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@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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](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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,13,12/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-6-4-2-5-2-5-6/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_h6-k1_i4-j1_k4-l1_l3-m2
InChIInChI=1S/C98H161N7O72/c1-23(117)99-45-30(124)8-97(95(149)150,174-77(45)52(128)32(126)10-106)176-80-57(133)36(14-110)157-91(70(80)146)169-73-39(17-113)160-85(48(61(73)137)102-26(4)120)153-21-43-56(132)67(143)82(172-87-50(104-28(6)122)63(139)74(40(18-114)162-87)167-89-68(144)65(141)54(130)34(12-108)156-89)93(165-43)154-22-44-59(135)79(69(145)90(164-44)168-75-41(19-115)161-86(49(62(75)138)103-27(5)121)166-72-38(16-112)155-84(148)47(60(72)136)101-25(3)119)171-94-83(66(142)55(131)35(13-109)159-94)173-88-51(105-29(7)123)64(140)76(42(20-116)163-88)170-92-71(147)81(58(134)37(15-111)158-92)177-98(96(151)152)9-31(125)46(100-24(2)118)78(175-98)53(129)33(127)11-107/h30-94,106-116,124-148H,8-22H2,1-7H3,(H,99,117)(H,100,118)(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,123)(H,149,150)(H,151,152)/t30-,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+,97-,98-/m0/s1
InChIKeyKNBBQBNJHZEXOE-VCMPPILISA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297831 (CHEBI:148967) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->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->2)]-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-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G24705DLGlyTouCan
G24705DLGlyGen