EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:151001 - CID 91861393

ChEBI IDCHEBI:151001
ChEBI NameCID 91861393
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC110H181N7O81
Net Charge0
Average Mass2897.626
Monoisotopic Mass2896.02593
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]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]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](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@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=2.0/7,15,14/[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][a1221m-1a_1-5]/1-2-3-4-2-5-6-4-2-5-6-2-5-5-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_h4-l1_i4-j1_j3-k2_l4-m1_m3-n1
InChIInChI=1S/C110H181N7O81/c1-25-56(141)70(155)73(158)99(172-25)170-24-48-85(65(150)51(94(165)173-48)113-28(4)132)186-96-53(115-30(6)134)67(152)81(43(19-126)180-96)188-102-77(162)89(192-106-92(72(157)60(145)38(14-121)178-106)193-97-54(116-31(7)135)68(153)82(44(20-127)181-97)189-103-78(163)90(62(147)40(16-123)176-103)197-109(107(166)167)9-33(137)49(111-26(2)130)86(195-109)57(142)35(139)11-118)64(149)47(184-102)23-171-105-93(75(160)84(46(22-129)183-105)185-95-52(114-29(5)133)66(151)80(42(18-125)179-95)187-101-76(161)88(61(146)39(15-122)175-101)191-100-74(159)71(156)59(144)37(13-120)174-100)194-98-55(117-32(8)136)69(154)83(45(21-128)182-98)190-104-79(164)91(63(148)41(17-124)177-104)198-110(108(168)169)10-34(138)50(112-27(3)131)87(196-110)58(143)36(140)12-119/h25,33-106,118-129,137-165H,9-24H2,1-8H3,(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,166,167)(H,168,169)/t25-,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+,109-,110-/m0/s1
InChIKeyCQVLQRAEYOHXDJ-VZJFDTHZSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91861393 (CHEBI:151001) 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)-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)-[beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G45492BKGlyTouCan
G45492BKGlyGen