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CHEBI:151477 - CID 91854452

Default Structure
ChEBI IDCHEBI:151477
ChEBI NameCID 91854452
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC99H164N6O73
Net Charge0
Average Mass2606.370
Monoisotopic Mass2604.93052
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]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=2.0/7,14,13/[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]/1-1-2-3-1-4-5-1-4-6-3-1-4-7/a4-b1_a6-n1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j1_k2-l1_l4-m1
InChIInChI=1S/C99H164N6O73/c1-22-49(124)62(137)67(142)90(155-22)152-20-42-79(57(132)44(85(149)156-42)101-24(3)117)169-87-46(103-26(5)119)59(134)77(38(17-114)162-87)173-95-73(148)82(56(131)40(166-95)19-153-96-83(66(141)53(128)33(12-109)160-96)176-88-47(104-27(6)120)60(135)74(35(14-111)163-88)170-91-68(143)63(138)51(126)31(10-107)157-91)175-97-84(71(146)78(39(18-115)165-97)168-86-45(102-25(4)118)58(133)76(37(16-113)161-86)172-94-72(147)81(55(130)34(13-110)159-94)174-92-69(144)64(139)52(127)32(11-108)158-92)177-89-48(105-28(7)121)61(136)75(36(15-112)164-89)171-93-70(145)65(140)54(129)41(167-93)21-154-99(98(150)151)8-29(122)43(100-23(2)116)80(178-99)50(125)30(123)9-106/h22,29-97,106-115,122-149H,8-21H2,1-7H3,(H,100,116)(H,101,117)(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,150,151)/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+,99+/m0/s1
InChIKeyWZKOPUHMKDDTMA-KEJOHYLLSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91854452 (CHEBI:151477) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
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)-[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)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G48277OHGlyGen
G48277OHGlyTouCan