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CHEBI:146475 - CID 91848007

ChEBI IDCHEBI:146475
ChEBI NameCID 91848007
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC102H170N6O74
Net Charge0
Average Mass2664.450
Monoisotopic Mass2662.97238
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](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@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]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](O)[C@H]5NC(C)=O)[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]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O)[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][a1221m-1a_1-5][a2112h-1b_1-5]/1-1-2-3-1-4-5-1-5-3-1-4-5-1-5/a4-b1_b4-c1_c3-d1_c6-j1_d4-e1_d6-h1_e3-f1_e4-g1_h4-i1_j2-k1_j6-n1_k3-l1_k4-m1_n4-o1
InChIInChI=1S/C102H170N6O74/c1-22-49(125)61(137)69(145)94(157-22)179-84-47(107-28(7)123)92(167-38(17-117)82(84)177-98-73(149)65(141)53(129)32(11-111)162-98)173-81-42(21-155-90-45(105-26(5)121)59(135)79(36(15-115)165-90)175-97-72(148)64(140)52(128)31(10-110)161-97)171-100(75(151)68(81)144)181-86-56(132)41(169-101(76(86)152)176-80-37(16-116)166-91(46(60(80)136)106-27(6)122)172-77-34(13-113)159-88(153)43(57(77)133)103-24(3)119)20-156-102-87(67(143)55(131)40(170-102)19-154-89-44(104-25(4)120)58(134)78(35(14-114)164-89)174-96-71(147)63(139)51(127)30(9-109)160-96)182-93-48(108-29(8)124)85(180-95-70(146)62(138)50(126)23(2)158-95)83(39(18-118)168-93)178-99-74(150)66(142)54(130)33(12-112)163-99/h22-23,30-102,109-118,125-153H,9-21H2,1-8H3,(H,103,119)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,124)/t22-,23-,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
InChIKeyRHRJYRJMKSAIEM-JROZWWTASA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91848007 (CHEBI:146475) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-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)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
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