GT2 (homo sapiens)

Properties Image MNX_ID MNXM11731 reference biggM:gt2_hs formula C72H117N5O42* global charge -3 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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C73H123N5O42/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37(90)36(74-31(2)85)30-109-66-57(101)56(100)59(45(28-83)111-66)113-67-58(102)64(60(46(29-84)112-67)114-65-50(78-35(6)89)55(99)52(96)42(25-80)110-65)120-73(70(107)108)23-40(93)49(77-34(5)88)63(119-73)54(98)44(27-82)116-72(69(105)106)22-39(92)48(76-33(4)87)62(118-72)53(97)43(26-81)115-71(68(103)104)21-38(91)47(75-32(3)86)61(117-71)51(95)41(94)24-79/h19-20,36-67,79-84,90-102H,7-18,21-30H2,1-6H3,(H,74,85)(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H,103,104)(H,105,106)(H,107,108)/b20-19+/t36-,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-,71+,72+,73-/m0/s1/i2+1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]/[CH:19]=[CH:20]/[C@H:37]([C@H:36]([CH2:30][O:109][C@H:66]1[C@H:57]([OH:101])[C@@H:56]([OH:100])[C@H:59]([O:113][C@H:67]2[C@H:58]([OH:102])[C@@H:64]([O:120][C@:73]3([C:70](=[O:107])[OH:108])[CH2:23][C@H:40]([OH:93])[C@@H:49]([N:77]=[C:34]([CH3:5])[OH:88])[CH:63]([C@@H:54]([C@@H:44]([CH2:27][OH:82])[O:116][C@:72]4([C:69](=[O:105])[OH:106])[CH2:22][C@H:39]([OH:92])[C@@H:48]([N:76]=[C:33]([CH3:4])[OH:87])[CH:62]([C@@H:53]([C@@H:43]([CH2:26][OH:81])[O:115][C@:71]5([C:68](=[O:103])[OH:104])[CH2:21][C@H:38]([OH:91])[C@@H:47]([N:75]=[C:32]([CH3:3])[OH:86])[CH:61]([C@@H:51]([C@@H:41]([CH2:24][OH:79])[OH:94])[OH:95])[O:117]5)[OH:97])[O:118]4)[OH:98])[O:119]3)[C@@H:60]([O:114][C@H:65]3[C@H:50]([N:78]=[C:35]([CH3:6])[OH:89])[C@@H:55]([OH:99])[C@@H:52]([OH:96])[C@@H:42]([CH2:25][OH:80])[O:110]3)[C@@H:46]([CH2:29][OH:84])[O:112]2)[C@@H:45]([CH2:28][OH:83])[O:111]1)[N:74]=[C:31]([13CH3:2])[OH:85])[OH:90]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2