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CHEBI:147501 - CID 91860838

ChEBI IDCHEBI:147501
ChEBI NameCID 91860838
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC102H170N6O75
Net Charge0
Average Mass2680.449
Monoisotopic Mass2678.96730
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@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](O[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@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@H]7O)[C@H](O)[C@H]6NC(C)=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=2.0/5,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-4-1-4-3-1-4-4-5/a4-b1_a6-o1_b4-c1_c3-d1_c6-k1_d2-e1_e4-f1_f3-g1_g4-h1_h3-i1_i4-j1_k2-l1_l4-m1_m3-n1
InChIInChI=1S/C102H170N6O75/c1-22-49(127)64(142)69(147)94(157-22)155-21-42-81(58(136)43(88(154)158-42)103-23(2)121)172-89-44(104-24(3)122)59(137)80(37(16-117)166-89)177-100-75(153)85(57(135)41(171-100)20-156-101-86(67(145)52(130)31(10-111)164-101)182-92-47(107-27(6)125)62(140)78(39(18-119)169-92)176-99-74(152)84(56(134)35(14-115)163-99)180-96-71(149)66(144)51(129)30(9-110)160-96)181-102-87(68(146)53(131)32(11-112)165-102)183-93-48(108-28(7)126)63(141)79(40(19-120)170-93)175-98-73(151)83(55(133)34(13-114)162-98)179-91-46(106-26(5)124)61(139)77(38(17-118)168-91)174-97-72(150)82(54(132)33(12-113)161-97)178-90-45(105-25(4)123)60(138)76(36(15-116)167-90)173-95-70(148)65(143)50(128)29(8-109)159-95/h22,29-102,109-120,127-154H,8-21H2,1-7H3,(H,103,121)(H,104,122)(H,105,123)(H,106,124)(H,107,125)(H,108,126)/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
InChIKeySCILVRPYJOLFPT-QSKHRUJDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91860838 (CHEBI:147501) is a polysaccharide (CHEBI:18154)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->3)-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
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
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