alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-[alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer

Properties Image MNX_ID MNXM1104820 reference chebi:62306 formula C97H165N4O61* global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)N[C@@H](CO[C@@H]1O[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]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]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H](O)[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]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C98H168N4O61/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-40(116)39(99-35(4)112)31-140-90-72(135)67(130)78(47(28-109)152-90)155-95-73(136)83(58(121)43(24-105)146-95)160-88-51(100-36(5)113)62(125)77(46(27-108)150-88)154-98-76(139)86(161-89-53(102-38(7)115)82(159-92-69(132)64(127)55(118)34(3)143-92)80(49(30-111)151-89)157-97-75(138)85(60(123)45(26-107)148-97)163-94-71(134)66(129)57(120)42(23-104)145-94)61(124)50(153-98)32-141-87-52(101-37(6)114)81(158-91-68(131)63(126)54(117)33(2)142-91)79(48(29-110)149-87)156-96-74(137)84(59(122)44(25-106)147-96)162-93-70(133)65(128)56(119)41(22-103)144-93/h20-21,33-34,39-98,103-111,116-139H,8-19,22-32H2,1-7H3,(H,99,112)(H,100,113)(H,101,114)(H,102,115)/b21-20+/t33-,34-,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-,98-/m0/s1/i4+1 SMILES (mnx) [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]/[CH:20]=[CH:21]/[C@H:40]([C@H:39]([CH2:31][O:140][C@H:90]1[C@H:72]([OH:135])[C@@H:67]([OH:130])[C@H:78]([O:155][C@H:95]2[C@H:73]([OH:136])[C@@H:83]([O:160][C@H:88]3[C@H:51]([N:100]=[C:36]([CH3:5])[OH:113])[C@@H:62]([OH:125])[C@H:77]([O:154][C@H:98]4[C@H:76]([OH:139])[C@@H:86]([O:161][C@H:89]5[C@H:53]([N:102]=[C:38]([CH3:7])[OH:115])[C@@H:82]([O:159][C@H:92]6[C@@H:69]([OH:132])[C@H:64]([OH:127])[C@H:55]([OH:118])[C@H:34]([CH3:3])[O:143]6)[C@H:80]([O:157][C@H:97]6[C@H:75]([OH:138])[C@@H:85]([O:163][C@@H:94]7[C@H:71]([OH:134])[C@@H:66]([OH:129])[C@@H:57]([OH:120])[C@@H:42]([CH2:23][OH:104])[O:145]7)[C@@H:60]([OH:123])[C@@H:45]([CH2:26][OH:107])[O:148]6)[C@@H:49]([CH2:30][OH:111])[O:151]5)[C@@H:61]([OH:124])[C@@H:50]([CH2:32][O:141][C@H:87]5[C@H:52]([N:101]=[C:37]([CH3:6])[OH:114])[C@@H:81]([O:158][C@H:91]6[C@@H:68]([OH:131])[C@H:63]([OH:126])[C@H:54]([OH:117])[C@H:33]([CH3:2])[O:142]6)[C@H:79]([O:156][C@H:96]6[C@H:74]([OH:137])[C@@H:84]([O:162][C@@H:93]7[C@H:70]([OH:133])[C@@H:65]([OH:128])[C@@H:56]([OH:119])[C@@H:41]([CH2:22][OH:103])[O:144]7)[C@@H:59]([OH:122])[C@@H:44]([CH2:25][OH:106])[O:147]6)[C@@H:48]([CH2:29][OH:110])[O:149]5)[O:153]4)[C@@H:46]([CH2:27][OH:108])[O:150]3)[C@@H:58]([OH:121])[C@@H:43]([CH2:24][OH:105])[O:146]2)[C@@H:47]([CH2:28][OH:109])[O:152]1)[N:99]=[C:35]([13CH3:4])[OH:112])[OH:116]

Parent-child relations graph

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