EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:155272 - CID 91848615

ChEBI IDCHEBI:155272
ChEBI NameCID 91848615
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H184N8O82
Net Charge0
Average Mass2954.678
Monoisotopic Mass2953.04740
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[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(C)=O)[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](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[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(C)=O)[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]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/5,15,14/[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]/1-1-2-3-1-4-5-3-1-4-5-1-4-1-4/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_h6-l1_i4-j1_j6-k2_l4-m1_m2-n1_n4-o1
InChIInChI=1S/C112H184N8O82/c1-26(132)113-51-34(140)9-111(109(170)171,201-90(51)59(144)36(142)11-121)176-24-49-64(149)75(160)81(166)103(188-49)193-86-44(19-129)184-99(56(71(86)156)118-31(6)137)198-93-79(164)66(151)47(22-174-97-54(116-29(4)135)69(154)89(42(17-127)182-97)196-107-94(77(162)62(147)39(14-124)180-107)199-100-57(119-32(7)138)72(157)85(43(18-128)185-100)192-102-80(165)74(159)61(146)38(13-123)179-102)190-106(93)175-23-48-67(152)92(83(168)105(187-48)195-88-46(21-131)183-98(55(70(88)155)117-30(5)136)191-84-41(16-126)178-96(169)53(68(84)153)115-28(3)134)197-108-95(78(163)63(148)40(15-125)181-108)200-101-58(120-33(8)139)73(158)87(45(20-130)186-101)194-104-82(167)76(161)65(150)50(189-104)25-177-112(110(172)173)10-35(141)52(114-27(2)133)91(202-112)60(145)37(143)12-122/h34-108,121-131,140-169H,9-25H2,1-8H3,(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,170,171)(H,172,173)/t34-,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+,111+,112+/m0/s1
InChIKeyZGXLGWGBMMLOHQ-UGGUZOIHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91848615 (CHEBI:155272) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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->6)-[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)-[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)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-2)Gal(b1-4)GlcNAc(b1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G94979RSGlyGen
G94979RSGlyTouCan