EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:152407 - CID 91861302

ChEBI IDCHEBI:152407
ChEBI NameCID 91861302
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC110H183N7O81
Net Charge0
Average Mass2899.642
Monoisotopic Mass2898.04158
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)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@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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@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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[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@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,16,15/[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][a2112h-1a_1-5]/1-2-3-4-2-5-6-2-5-2-4-2-5-2-5-6/a4-b1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g1_h4-i1_k2-l1_k6-n1_l4-m1_n4-o1_o3-p1
InChIInChI=1S/C110H183N7O81/c1-24(132)111-47-63(148)82(38(15-125)170-95(47)167)186-98-50(114-27(4)135)66(151)87(42(19-129)179-98)192-108-81(166)92(196-110-94(78(163)88(44(21-131)183-110)187-99-51(115-28(5)136)65(150)84(40(17-127)180-99)188-102-74(159)69(154)55(140)32(9-119)172-102)198-101-53(117-30(7)138)68(153)86(43(20-130)182-101)191-107-80(165)91(61(146)37(14-124)177-107)195-105-77(162)72(157)58(143)35(12-122)175-105)89(193-97-48(112-25(2)133)62(147)54(139)31(8-118)171-97)46(185-108)23-169-109-93(197-100-52(116-29(6)137)67(152)85(41(18-128)181-100)189-103-75(160)70(155)56(141)33(10-120)173-103)73(158)59(144)45(184-109)22-168-96-49(113-26(3)134)64(149)83(39(16-126)178-96)190-106-79(164)90(60(145)36(13-123)176-106)194-104-76(161)71(156)57(142)34(11-121)174-104/h31-110,118-131,139-167H,8-23H2,1-7H3,(H,111,132)(H,112,133)(H,113,134)(H,114,135)(H,115,136)(H,116,137)(H,117,138)/t31-,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+,98+,99+,100+,101+,102+,103+,104-,105-,106+,107+,108+,109+,110-/m1/s1
InChIKeyUZSUSOQWYIROTK-LRFHEUOVSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91861302 (CHEBI:152407) is a polysaccharide (CHEBI:18154)
Synonyms  Source
alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[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)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G61842MBGlyGen
G61842MBGlyTouCan