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GT3 (homo sapiens)

PropertiesImage
MNX_IDMNXM7406 Image of MNXM7406
referencebiggM:gt3_hs
formulaC64H104N4O37*
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](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/C65H110N4O37/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(79)33(66-29(2)75)28-97-58-51(89)50(88)53(42(27-74)99-58)100-59-52(90)57(47(85)39(24-71)98-59)106-65(62(95)96)22-37(82)45(69-32(5)78)56(105-65)49(87)41(26-73)102-64(61(93)94)21-36(81)44(68-31(4)77)55(104-64)48(86)40(25-72)101-63(60(91)92)20-35(80)43(67-30(3)76)54(103-63)46(84)38(83)23-70/h18-19,33-59,70-74,79-90H,6-17,20-28H2,1-5H3,(H,66,75)(H,67,76)(H,68,77)(H,69,78)(H,91,92)(H,93,94)(H,95,96)/b19-18+/t33-,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-,63+,64+,65-/m0/s1/i2+1 Image of MNXM7406
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:34]([C@H:33]([CH2:28][O:97][C@H:58]1[C@H:51]([OH:89])[C@@H:50]([OH:88])[C@H:53]([O:100][C@H:59]2[C@H:52]([OH:90])[C@@H:57]([O:106][C@:65]3([C:62](=[O:95])[OH:96])[CH2:22][C@H:37]([OH:82])[C@@H:45]([N:69]=[C:32]([CH3:5])[OH:78])[CH:56]([C@@H:49]([C@@H:41]([CH2:26][OH:73])[O:102][C@:64]4([C:61](=[O:93])[OH:94])[CH2:21][C@H:36]([OH:81])[C@@H:44]([N:68]=[C:31]([CH3:4])[OH:77])[CH:55]([C@@H:48]([C@@H:40]([CH2:25][OH:72])[O:101][C@:63]5([C:60](=[O:91])[OH:92])[CH2:20][C@H:35]([OH:80])[C@@H:43]([N:67]=[C:30]([CH3:3])[OH:76])[CH:54]([C@@H:46]([C@@H:38]([CH2:23][OH:70])[OH:83])[OH:84])[O:103]5)[OH:86])[O:104]4)[OH:87])[O:105]3)[C@@H:47]([OH:85])[C@@H:39]([CH2:24][OH:71])[O:98]2)[C@@H:42]([CH2:27][OH:74])[O:99]1)[N:66]=[C:29]([13CH3:2])[OH:75])[OH:79]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:gt3_hs
biggM:gt3_hs
GT3 (homo sapiens)

biggM:M_gt3_hs
secondary/obsolete/fantasy identifier