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CHEBI:146933 - CID 91851988

ChEBI IDCHEBI:146933
ChEBI NameCID 91851988
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H171N7O75
Net Charge0
Average Mass2719.486
Monoisotopic Mass2717.97819
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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[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=2.0/7,14,13/[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]/1-2-3-4-2-5-6-7-2-4-2-5-6-7/a4-b1_a6-n1_b4-c1_c3-d1_c4-i1_c6-j1_d2-e1_e4-f1_e6-h1_f3-g2_j2-k1_k4-l1_l3-m2
InChIInChI=1S/C104H171N7O75/c1-24-54(132)68(146)72(150)94(163-24)160-21-44-79(64(142)49(89(155)165-44)107-28(5)123)175-91-51(109-30(7)125)65(143)78(42(19-119)171-91)177-98-76(154)86(180-100-88(71(149)60(138)39(16-116)170-100)182-93-53(111-32(9)127)67(145)80(45(173-93)22-161-95-73(151)69(147)55(133)25(2)164-95)178-97-75(153)85(62(140)41(18-118)168-97)186-104(102(158)159)11-34(129)48(106-27(4)122)83(184-104)57(135)36(131)13-113)81(179-90-50(108-29(6)124)63(141)58(136)37(14-114)166-90)46(174-98)23-162-99-87(70(148)59(137)38(15-115)169-99)181-92-52(110-31(8)126)66(144)77(43(20-120)172-92)176-96-74(152)84(61(139)40(17-117)167-96)185-103(101(156)157)10-33(128)47(105-26(3)121)82(183-103)56(134)35(130)12-112/h24-25,33-100,112-120,128-155H,10-23H2,1-9H3,(H,105,121)(H,106,122)(H,107,123)(H,108,124)(H,109,125)(H,110,126)(H,111,127)(H,156,157)(H,158,159)/t24-,25-,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-,98-,99-,100+,103-,104-/m0/s1
InChIKeyXRTLKQHKKLFFBI-LKBMBPMMSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91851988 (CHEBI:146933) 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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->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)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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(b1-4)[Fuc(a1-6)]GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G06142UMGlyTouCan
G06142UMGlyGen