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GT1b (homo sapiens)

PropertiesImage
MNX_IDMNXM8695 Image of MNXM8695
referencebiggM:gt1b_hs
formulaC78H127N5O47*
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]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)[C@H]4O)[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](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C79H133N5O47/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(97)37(80-32(2)92)31-118-71-59(109)58(108)62(47(29-90)121-71)123-73-61(111)69(131-79(76(116)117)23-41(100)51(83-35(5)95)67(129-79)57(107)46(28-89)126-77(74(112)113)21-39(98)49(81-33(3)93)65(127-77)53(103)42(101)24-85)63(48(30-91)122-73)124-70-52(84-36(6)96)64(55(105)44(26-87)119-70)125-72-60(110)68(56(106)45(27-88)120-72)130-78(75(114)115)22-40(99)50(82-34(4)94)66(128-78)54(104)43(102)25-86/h19-20,37-73,85-91,97-111H,7-18,21-31H2,1-6H3,(H,80,92)(H,81,93)(H,82,94)(H,83,95)(H,84,96)(H,112,113)(H,114,115)(H,116,117)/b20-19+/t37-,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-,77+,78-,79-/m0/s1/i2+1 Image of MNXM8695
SMILES (mnx)[CH3:1][13CH2:2][C@@H:3]([CH3:4])[C@H:5]([CH3:6])[CH:7]1[CH2:8][C@:9]([CH2:10][C@H:11]([CH2:12][CH3:13])[C@@H:14]([CH3:15])[CH:16]2[CH2:17][C@:18]([CH2:19][CH:20]3[C@@H:21]([CH3:22])[C@H:23]([CH2:24][C@@H:25]4[C@@H:26]([CH3:27])[C@@H:28]([CH3:29])[C@H:30]([CH2:31][CH2:32][C@@H:33]([CH2:34][C:35]([CH3:36])=[CH2:37])[C@@H:38]([CH3:39])/[CH:40]=[CH:41]/[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][C@H:56]4[CH2:57][CH3:58])[CH2:59][C@H:60]([CH2:61][CH3:62])[C@@H:63]3[CH2:64][C@H:65]3[CH2:66][C@H:67]([CH2:68][CH3:69])[C@H:70]([CH3:71])[C@@H:72]([CH2:73][CH:74]4[CH2:75][C@@H:76]([CH2:77][CH3:78])[C@@H:79]([NH2:80])[N:81]([NH:82][N@@:83]5([O:100]([OH:101])=[O:102])[NH:84][O:85]([O:86]([OH:87])[O:88]([OH:89])[O:90][OH:91])[O@:92]([O:93][O:94](=[O:95])[OH:96])[O@:97]([OH:98])[O:99]5)[O:103]4[OH:104])[O:105]3[O:106][O:107](=[O:108])[OH:109])([O:110]([OH:111])=[O:112])[O:113][O@:114]([OH:115])[O@:116]2[O:117][O:118](=[O:119])[OH:120])([O:121]([OH:122])=[O:123])[O:124][O@:125]([OH:126])[O@@:127]1[O:128][O:129](=[O:130])[OH:131]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:gt1b_hs
biggM:gt1b_hs
GT1b (homo sapiens)

biggM:M_gt1b_hs
secondary/obsolete/fantasy identifier