EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:146937 - CID 91855161

ChEBI IDCHEBI:146937
ChEBI NameCID 91855161
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC115H188N8O85
Net Charge0
Average Mass3042.740
Monoisotopic Mass3041.06344
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@]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](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=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=2.0/8,15,14/[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][Aad21122h-2a_2-6_5*NCCO/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-7-4-2-5-6-8/a4-b1_a6-o1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_l4-m1_m6-n2
InChIInChI=1S/C115H188N8O85/c1-27-61(148)75(162)80(167)103(185-27)180-23-51-91(70(157)56(98(173)186-51)118-30(4)136)198-100-58(120-32(6)138)72(159)89(45(19-131)189-100)202-107-85(172)95(69(156)47(193-107)22-181-108-96(79(166)65(152)41(15-127)187-108)204-101-59(121-33(7)139)73(160)87(43(17-129)190-101)200-105-82(169)76(163)66(153)48(194-105)24-182-113(110(174)175)9-35(141)53(116-28(2)134)92(206-113)62(149)38(144)12-124)203-109-97(205-102-60(122-34(8)140)74(161)88(44(18-130)191-102)201-106-83(170)77(164)67(154)49(195-106)25-183-114(111(176)177)10-36(142)54(117-29(3)135)93(207-114)63(150)39(145)13-125)84(171)90(46(20-132)192-109)197-99-57(119-31(5)137)71(158)86(42(16-128)188-99)199-104-81(168)78(165)68(155)50(196-104)26-184-115(112(178)179)11-37(143)55(123-52(147)21-133)94(208-115)64(151)40(146)14-126/h27,35-51,53-109,124-133,141-146,148-173H,9-26H2,1-8H3,(H,116,134)(H,117,135)(H,118,136)(H,119,137)(H,120,138)(H,121,139)(H,122,140)(H,123,147)(H,174,175)(H,176,177)(H,178,179)/t27-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,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+,113+,114+,115+/m0/s1
InChIKeyJJNCXKAKPBUVGS-LBYMTWRXSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855161 (CHEBI:146937) 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)-[3,5-dideoxy-5-glycolamido-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->4)]-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)-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(b1-2)[NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G06162IFGlyTouCan
G06162IFGlyGen