alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc

Properties Image MNX_ID MNXM119022 reference chebi:72008 formula C65H108N4O47 global charge 0 mol weight 1697.56 InChIKey NTLUHLLEFBQGEC-PJAFKPHGSA-N InChI InChI=1S/C65H108N4O47/c1-15-33(82)40(89)43(92)59(101-15)112-52-31(68-19(5)78)56(97)103-26(12-74)49(52)110-62-47(96)55(38(87)24(10-72)104-62)115-58-32(69-20(6)79)53(113-60-44(93)41(90)34(83)16(2)102-60)50(27(13-75)107-58)111-63-46(95)54(37(86)23(9-71)105-63)114-57-30(67-18(4)77)39(88)48(25(11-73)106-57)109-61-45(94)42(91)36(85)28(108-61)14-100-65(64(98)99)7-21(80)29(66-17(3)76)51(116-65)35(84)22(81)8-70/h15-16,21-63,70-75,80-97H,7-14H2,1-6H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,98,99)/t15-,16-,21-,22+,23+,24+,25+,26+,27+,28+,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-,65+/m0/s1 SMILES CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[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@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C65H108N4O47/c1-15-33(82)40(89)43(92)59(101-15)112-52-31(68-19(5)78)56(97)103-26(12-74)49(52)110-62-47(96)55(38(87)24(10-72)104-62)115-58-32(69-20(6)79)53(113-60-44(93)41(90)34(83)16(2)102-60)50(27(13-75)107-58)111-63-46(95)54(37(86)23(9-71)105-63)114-57-30(67-18(4)77)39(88)48(25(11-73)106-57)109-61-45(94)42(91)36(85)28(108-61)14-100-65(64(98)99)7-21(80)29(66-17(3)76)51(116-65)35(84)22(81)8-70/h15-16,21-63,70-75,80-97H,7-14H2,1-6H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,98,99)/t15-,16-,21-,22+,23+,24+,25+,26+,27+,28+,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-,65+/m0/s1 SMILES (mnx) [CH3:1][C@H:15]1[C@@H:33]([OH:82])[C@@H:40]([OH:89])[C@H:43]([OH:92])[C@H:59]([O:112][C@@H:52]2[C@@H:31]([N:68]=[C:19]([CH3:5])[OH:78])[C@H:56]([OH:97])[O:103][C@H:26]([CH2:12][OH:74])[C@H:49]2[O:110][C@H:62]2[C@H:47]([OH:96])[C@@H:55]([O:115][C@H:58]3[C@H:32]([N:69]=[C:20]([CH3:6])[OH:79])[C@@H:53]([O:113][C@H:60]4[C@@H:44]([OH:93])[C@H:41]([OH:90])[C@H:34]([OH:83])[C@H:16]([CH3:2])[O:102]4)[C@H:50]([O:111][C@H:63]4[C@H:46]([OH:95])[C@@H:54]([O:114][C@H:57]5[C@H:30]([N:67]=[C:18]([CH3:4])[OH:77])[C@@H:39]([OH:88])[C@H:48]([O:109][C@H:61]6[C@H:45]([OH:94])[C@@H:42]([OH:91])[C@@H:36]([OH:85])[C@@H:28]([CH2:14][O:100][C@:65]7([C:64](=[O:98])[OH:99])[CH2:7][C@H:21]([OH:80])[C@@H:29]([N:66]=[C:17]([CH3:3])[OH:76])[C@H:51]([C@@H:35]([C@@H:22]([CH2:8][OH:70])[OH:81])[OH:84])[O:116]7)[O:108]6)[C@@H:25]([CH2:11][OH:73])[O:106]5)[C@@H:37]([OH:86])[C@@H:23]([CH2:9][OH:71])[O:105]4)[C@@H:27]([CH2:13][OH:75])[O:107]3)[C@@H:38]([OH:87])[C@@H:24]([CH2:10][OH:72])[O:104]2)[O:101]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0