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CHEBI:148974 - CID 91862154

ChEBI IDCHEBI:148974
ChEBI NameCID 91862154
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC102H170N6O75
Net Charge0
Average Mass2680.449
Monoisotopic Mass2678.96730
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]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](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](O)[C@H](O[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]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]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][a2112h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-3-2-5-6-2-5-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-i1_d2-e1_d6-g1_e4-f1_g4-h1_i2-j1_i6-m1_j4-k1_k3-l1_m4-n1
InChIInChI=1S/C102H170N6O75/c1-22-49(125)64(140)71(147)94(159-22)157-21-42-83(58(134)43(88(154)160-42)103-23(2)119)174-91-46(106-26(5)122)61(137)82(37(16-117)168-91)179-100-77(153)85(181-102-87(183-93-48(108-28(7)124)62(138)80(36(15-116)170-93)177-97-74(150)67(143)52(128)31(10-111)163-97)70(146)55(131)40(173-102)19-156-90-45(105-25(4)121)60(136)79(35(14-115)167-90)176-96-73(149)66(142)51(127)30(9-110)162-96)57(133)41(171-100)20-158-101-86(69(145)54(130)39(172-101)18-155-89-44(104-24(3)120)59(135)78(34(13-114)166-89)175-95-72(148)65(141)50(126)29(8-109)161-95)182-92-47(107-27(6)123)63(139)81(38(17-118)169-92)178-99-76(152)84(56(132)33(12-113)165-99)180-98-75(151)68(144)53(129)32(11-112)164-98/h22,29-102,109-118,125-154H,8-21H2,1-7H3,(H,103,119)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,124)/t22-,29+,30+,31+,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+/m0/s1
InChIKeyDLWDHOFIIXOUAT-JLQPEOTDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91862154 (CHEBI:148974) 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->6)]-beta-D-manno-hexopyranosyl-(1->6)-[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)]-alpha-D-manno-hexopyranosyl-(1->3)]-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
Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(b1-6)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G27606SJGlyTouCan
G27606SJGlyGen