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CHEBI:151169 - CID 91848669

ChEBI IDCHEBI:151169
ChEBI NameCID 91848669
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC110H181N7O81
Net Charge0
Average Mass2897.626
Monoisotopic Mass2896.02593
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](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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5NC(C)=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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/7,15,14/[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][a2112h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-4-6-3-1-4-5-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j1_k2-l1_l4-m1_m6-n2
InChIInChI=1S/C110H181N7O81/c1-25-56(139)70(153)75(158)99(174-25)170-22-48-87(65(148)51(94(165)175-48)113-28(4)130)188-96-53(115-30(6)132)67(150)85(43(19-126)180-96)192-104-81(164)91(64(147)45(184-104)21-171-105-92(74(157)60(143)38(14-121)178-105)195-97-54(116-31(7)133)68(151)82(40(16-123)181-97)189-101-77(160)72(155)61(144)46(185-101)23-172-109(107(166)167)9-33(135)49(111-26(2)128)88(197-109)57(140)35(137)11-118)194-106-93(79(162)86(44(20-127)183-106)187-95-52(114-29(5)131)66(149)84(42(18-125)179-95)191-103-80(163)90(63(146)39(15-122)177-103)193-100-76(159)71(154)59(142)37(13-120)176-100)196-98-55(117-32(8)134)69(152)83(41(17-124)182-98)190-102-78(161)73(156)62(145)47(186-102)24-173-110(108(168)169)10-34(136)50(112-27(3)129)89(198-110)58(141)36(138)12-119/h25,33-106,118-127,135-165H,9-24H2,1-8H3,(H,111,128)(H,112,129)(H,113,130)(H,114,131)(H,115,132)(H,116,133)(H,117,134)(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
InChIKeyHZUNEMIEYZWXIS-APBFGEFCSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91848669 (CHEBI:151169) 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-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->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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(a1-3)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)]b-GlcNAcSUBMITTER
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