EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:146905 - CID 91851993

ChEBI IDCHEBI:146905
ChEBI NameCID 91851993
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC123H201N9O89
Net Charge0
Average Mass3229.935
Monoisotopic Mass3228.14790
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@]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@]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](O)[C@H](O)[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](O[C@@H]4O[C@H](CO[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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,16,15/[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]/1-2-3-4-2-5-6-2-4-2-5-6-2-5-6-7/a4-b1_a6-p1_b4-c1_c3-d1_c4-h1_c6-i1_d2-e1_e4-f1_f6-g2_i2-j1_i6-m1_j4-k1_k6-l2_m4-n1_n3-o2
InChIInChI=1S/C123H201N9O89/c1-29-66(158)82(174)87(179)111(196-29)192-25-55-96(77(169)60(105(184)197-55)127-33(5)146)209-108-63(130-36(8)149)79(171)95(51(23-142)202-108)213-115-91(183)102(215-117-104(85(177)71(163)46(18-137)200-117)217-110-65(132-38(10)151)81(173)94(50(22-141)204-110)211-113-89(181)84(176)73(165)54(206-113)28-195-122(119(187)188)12-40(153)58(125-31(3)144)99(219-122)68(160)43(156)15-134)97(214-107-61(128-34(6)147)76(168)70(162)45(17-136)198-107)56(208-115)26-193-116-103(216-109-64(131-37(9)150)80(172)93(49(21-140)203-109)210-112-88(180)83(175)72(164)53(205-112)27-194-121(118(185)186)11-39(152)57(124-30(2)143)98(218-121)67(159)42(155)14-133)86(178)74(166)52(207-116)24-191-106-62(129-35(7)148)78(170)92(48(20-139)201-106)212-114-90(182)101(75(167)47(19-138)199-114)221-123(120(189)190)13-41(154)59(126-32(4)145)100(220-123)69(161)44(157)16-135/h29,39-117,133-142,152-184H,11-28H2,1-10H3,(H,124,143)(H,125,144)(H,126,145)(H,127,146)(H,128,147)(H,129,148)(H,130,149)(H,131,150)(H,132,151)(H,185,186)(H,187,188)(H,189,190)/t29-,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+,101-,102+,103-,104-,105?,106+,107-,108-,109-,110-,111+,112-,113-,114-,115-,116-,117+,121+,122+,123-/m0/s1
InChIKeyANYOUGJAPGNTDI-QNSCXWPFSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91851993 (CHEBI:146905) 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->2)-alpha-D-manno-hexopyranosyl-(1->3)-[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->2)-[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)]-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(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G06017WGGlyGen
G06017WGGlyTouCan