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CID 91855931

PropertiesImageOccurences in reactions
MNX_IDMNXM1112959Image of MNXM1112959
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC98H161N7O71
charge0
mass2571.92029
referencechebi:147016
InChIKeyDTAKBBDGKWRFDS-JBMMIDQSSA-N
InChIInChI=1S/C98H161N7O71/c1-23-52(125)65(138)70(143)89(156-23)152-19-43-77(61(134)47(84(147)157-43)101-26(4)116)167-86-49(103-28(6)118)62(135)76(40(18-113)161-86)170-92-73(146)81(172-94-83(69(142)57(130)37(15-110)160-94)174-88-51(105-30(8)120)64(137)75(39(17-112)163-88)169-91-72(145)67(140)59(132)42(165-91)22-155-98(96(150)151)10-32(122)46(100-25(3)115)80(176-98)54(127)34(124)12-107)78(171-85-48(102-27(5)117)60(133)55(128)35(13-108)158-85)44(166-92)20-153-93-82(68(141)56(129)36(14-109)159-93)173-87-50(104-29(7)119)63(136)74(38(16-111)162-87)168-90-71(144)66(139)58(131)41(164-90)21-154-97(95(148)149)9-31(121)45(99-24(2)114)79(175-97)53(126)33(123)11-106/h23,31-94,106-113,121-147H,9-22H2,1-8H3,(H,99,114)(H,100,115)(H,101,116)(H,102,117)(H,103,118)(H,104,119)(H,105,120)(H,148,149)(H,150,151)/t23-,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-,97-,98-/m1/s1
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[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)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO[C@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)O[C@@H](O)[C@H](NC(C)=O)[C@H]4O)[C@H](NC(C)=O)[C@H]3O)[C@@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:147016
chebi:147016
CID 91855931
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->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)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-D-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[D-Fuc(a1-6)]b-GlcNAc
WURCS=2.0/6,13,12/[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][a2112m-1a_1-5]/1-1-2-3-1-4-5-1-3-1-4-5-6/a4-b1_a6-m1_b4-c1_c3-d1_c4-h1_c6-i1_d2-e1_e4-f1_f6-g2_i2-j1_j4-k1_k6-l2