EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:148376 - CID 71297909

ChEBI IDCHEBI:148376
ChEBI NameCID 71297909
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC102H170N6O73
Net Charge0
Average Mass2648.451
Monoisotopic Mass2646.97747
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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[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](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=2.0/6,15,14/[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][a1221m-1a_1-5]/1-2-3-4-2-5-2-4-2-6-5-2-6-5-6/a4-b1_a6-o1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_e4-f1_h2-i1_h6-l1_i3-j1_i4-k1_l3-m1_l4-n1
InChIInChI=1S/C102H170N6O73/c1-22-49(124)62(137)70(145)94(156-22)154-20-41-79(59(134)43(88(152)159-41)103-25(4)118)171-91-45(105-27(6)120)60(135)78(37(16-115)166-91)173-100-76(151)85(179-102-87(68(143)56(131)35(14-113)164-102)181-92-46(106-28(7)121)61(136)77(36(15-114)167-92)172-97-73(148)65(140)53(128)32(11-110)161-97)82(174-90-44(104-26(5)119)58(133)52(127)31(10-109)160-90)42(170-100)21-155-101-86(180-93-48(108-30(9)123)84(178-96-72(147)64(139)51(126)24(3)158-96)81(39(18-117)168-93)176-99-75(150)67(142)55(130)34(13-112)163-99)69(144)57(132)40(169-101)19-153-89-47(107-29(8)122)83(177-95-71(146)63(138)50(125)23(2)157-95)80(38(17-116)165-89)175-98-74(149)66(141)54(129)33(12-111)162-98/h22-24,31-102,109-117,124-152H,10-21H2,1-9H3,(H,103,118)(H,104,119)(H,105,120)(H,106,121)(H,107,122)(H,108,123)/t22-,23-,24-,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
InChIKeyCSRDFDLJKBEDGR-UVKLCGHLSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297909 (CHEBI:148376) is a polysaccharide (CHEBI:18154)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G21767NDGlyTouCan
G21767NDGlyGen