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CHEBI:148722 - CID 91853066

ChEBI IDCHEBI:148722
ChEBI NameCID 91853066
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC101H165N7O74
Net Charge0
Average Mass2661.406
Monoisotopic Mass2659.93633
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@]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](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@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@@H](O)[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]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,13,12/[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][a1221m-1a_1-5]/1-2-3-4-2-5-6-6-4-2-5-6-7/a4-b1_a6-m1_b4-c1_c3-d1_c6-i1_d2-e1_e3-f1_e6-h2_f3-g2_i2-j1_j4-k1_k3-l2
InChIInChI=1S/C101H165N7O74/c1-24-54(131)67(144)70(147)90(161-24)158-22-46-76(64(141)50(86(151)162-46)105-28(5)121)171-87-51(106-29(6)122)65(142)74(42(19-116)167-87)172-91-71(148)81(63(140)44(170-91)21-159-94-84(68(145)58(135)38(15-112)165-94)176-88-52(107-30(7)123)66(143)75(43(20-117)168-88)173-92-72(149)82(60(137)40(17-114)163-92)181-100(97(154)155)10-33(126)48(103-26(3)119)79(179-100)56(133)36(129)13-110)175-95-85(69(146)59(136)39(16-113)166-95)177-89-53(108-31(8)124)77(62(139)45(169-89)23-160-99(96(152)153)9-32(125)47(102-25(2)118)78(178-99)55(132)35(128)12-109)174-93-73(150)83(61(138)41(18-115)164-93)182-101(98(156)157)11-34(127)49(104-27(4)120)80(180-101)57(134)37(130)14-111/h24,32-95,109-117,125-151H,9-23H2,1-8H3,(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,124)(H,152,153)(H,154,155)(H,156,157)/t24-,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+,99+,100-,101-/m0/s1
InChIKeyOZQUBIVNGSVCAP-RBKPVDBDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91853066 (CHEBI:148722) 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->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-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->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(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G23726COGlyTouCan
G23726COGlyGen