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CID 91850767

PropertiesImageOccurences in reactions
MNX_IDMNXM1112836Image of MNXM1112836
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC104H171N7O77
charge0
mass2749.96802
referencechebi:146837
InChIKeyKBCPVGCEJZSWQX-NLNDWJACSA-N
InChIInChI=1S/C104H171N7O77/c1-24-54(135)68(149)71(152)94(164-24)162-23-45-80(63(144)49(89(157)165-45)106-26(3)125)176-90-50(107-27(4)126)64(145)77(40(17-119)171-90)178-96-73(154)84(182-100-88(70(151)58(139)36(13-115)170-100)184-93-53(110-30(7)129)67(148)79(43(20-122)174-93)180-98-75(156)86(61(142)39(16-118)168-98)188-104(102(160)161)9-32(131)48(111-46(134)21-123)82(186-104)56(137)34(133)11-113)62(143)44(175-96)22-163-99-87(69(150)57(138)35(12-114)169-99)183-92-52(109-29(6)128)66(147)76(42(19-121)173-92)177-95-72(153)83(59(140)37(14-116)166-95)181-91-51(108-28(5)127)65(146)78(41(18-120)172-91)179-97-74(155)85(60(141)38(15-117)167-97)187-103(101(158)159)8-31(130)47(105-25(2)124)81(185-103)55(136)33(132)10-112/h24,31-45,47-100,112-123,130-133,135-157H,8-23H2,1-7H3,(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,134)(H,158,159)(H,160,161)/t24-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,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+,103-,104-/m0/s1
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](OC[C@H]3O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)O[C@@H](O)[C@H](NC(C)=O)[C@H]5O)[C@H](NC(C)=O)[C@H]4O)[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@]6(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[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]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:146837
chebi:146837
CID 91850767
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->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->6)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->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-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-hexopyranose
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc
WURCS=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*NCCO/3=O][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-1-4-1-4-6-7/a4-b1_a6-n1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_i4-j1_j3-k1_k4-l1_l3-m2