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CHEBI:148173 - CID 71297797

Default Structure
ChEBI IDCHEBI:148173
ChEBI NameCID 71297797
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC101H165N7O75
Net Charge0
Average Mass2677.405
Monoisotopic Mass2675.93124
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]4CO)O[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@]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)O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,13,12/[a2122h-1x_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5-6-4-5-6-3-4-5-6/a4-b1_b3-c1_b6-j1_c2-d1_c4-g1_d4-e1_e6-f2_g4-h1_h6-i2_j2-k1_k4-l1_l6-m2
InChIInChI=1S/C101H165N7O75/c1-24(118)102-47-31(125)8-99(96(153)154,181-80(47)54(131)34(128)11-109)160-21-44-58(135)66(143)70(147)90(170-44)174-76-39(16-114)165-87(51(63(76)140)106-28(5)122)173-79-42(19-117)168-95(85(73(79)150)180-89-53(108-30(7)124)65(142)78(41(18-116)167-89)176-92-72(149)68(145)60(137)46(172-92)23-162-101(98(157)158)10-33(127)49(104-26(3)120)82(183-101)56(133)36(130)13-111)178-83-61(138)43(169-93(74(83)151)177-75-38(15-113)163-86(152)50(62(75)139)105-27(4)121)20-159-94-84(69(146)57(134)37(14-112)164-94)179-88-52(107-29(6)123)64(141)77(40(17-115)166-88)175-91-71(148)67(144)59(136)45(171-91)22-161-100(97(155)156)9-32(126)48(103-25(2)119)81(182-100)55(132)35(129)12-110/h31-95,109-117,125-152H,8-23H2,1-7H3,(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,124)(H,153,154)(H,155,156)(H,157,158)/t31-,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+,99+,100+,101+/m0/s1
InChIKeyGHWNUBWXRKWDTG-PTNWSUKDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297797 (CHEBI:148173) is a neuraminic acids (CHEBI:25508)
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)-[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->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[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-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G19339UMGlyTouCan
G19339UMGlyGen