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CHEBI:155228 - CID 71297890

ChEBI IDCHEBI:155228
ChEBI NameCID 71297890
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC99H164N6O72
Net Charge0
Average Mass2590.371
Monoisotopic Mass2588.93560
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](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](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@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[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=2.0/7,14,13/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-6-4-2-7-5-7/a4-b1_a6-n1_b4-c1_c3-d1_c6-j1_d2-e1_e4-f1_f3-g1_g4-h1_h6-i2_j2-k1_k3-l1_k4-m1
InChIInChI=1S/C99H164N6O72/c1-22-49(123)62(136)68(142)90(154-22)151-20-42-77(58(132)44(85(148)156-42)101-25(4)116)167-86-45(102-26(5)117)59(133)76(37(16-112)161-86)170-95-73(147)82(57(131)40(165-95)19-152-96-83(66(140)53(127)33(12-108)159-96)175-89-48(105-29(8)120)80(172-91-69(143)63(137)50(124)23(2)155-91)78(39(18-114)164-89)171-92-70(144)64(138)52(126)32(11-107)157-92)174-97-84(67(141)54(128)34(13-109)160-97)176-88-47(104-28(7)119)61(135)75(38(17-113)163-88)169-94-72(146)81(56(130)35(14-110)158-94)173-87-46(103-27(6)118)60(134)74(36(15-111)162-87)168-93-71(145)65(139)55(129)41(166-93)21-153-99(98(149)150)9-30(121)43(100-24(3)115)79(177-99)51(125)31(122)10-106/h22-23,30-97,106-114,121-148H,9-21H2,1-8H3,(H,100,115)(H,101,116)(H,102,117)(H,103,118)(H,104,119)(H,105,120)(H,149,150)/t22-,23-,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-,97+,99+/m0/s1
InChIKeyKZNMPELNMUJMSP-IDUMGMPFSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297890 (CHEBI:155228) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-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->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)-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
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G94806YMGlyGen
G94806YMGlyTouCan