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GD1b (homo sapiens)

PropertiesImage
MNX_IDMNXM1103865 Image of MNXM1103865
referencebiggM:gd1b_hs
formulaC67H111N4O39*
global charge-2
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@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@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([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/C68H116N4O39/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(83)33(69-29(2)79)28-100-62-53(94)51(92)55(41(26-77)103-62)105-64-54(95)60(56(42(27-78)104-64)106-61-45(72-32(5)82)57(48(89)39(24-75)101-61)107-63-52(93)50(91)47(88)38(23-74)102-63)111-68(66(98)99)21-36(85)44(71-31(4)81)59(110-68)49(90)40(25-76)108-67(65(96)97)20-35(84)43(70-30(3)80)58(109-67)46(87)37(86)22-73/h18-19,33-64,73-78,83-95H,6-17,20-28H2,1-5H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)(H,96,97)(H,98,99)/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+,60+,61-,62+,63-,64-,67+,68-/m0/s1/i2+1 Image of MNXM1103865
SMILES (mnx)[C@:1]1([C:18]([CH3:19])=[CH2:20])([CH2:46][C@H:39]([C@H:32]([C@@H:27]2[CH2:23][C@:21]([CH2:22][C@H:26]3[C@@H:29]([CH2:35][C@@H:43]4[C@H:48]([CH2:55][C:61]([CH3:68])=[NH:69])[C@@H:54]([CH2:60][O@:78]5[O:79][O@:80]([O:84][OH:88])[O@@:81]([OH:85])[O@:82]([OH:86])[O:83]5[OH:87])[C@@H:59]([CH3:67])[CH:56]([CH2:62][OH:77])[CH2:49]4)[C@@H:34]([CH2:42][OH:76])[CH2:41][C@H:36]([CH2:44][C@H:50]4[CH:57]([CH2:64][OH:75])[CH2:63][N:70]([NH:72][O:89][O:90]([O:91](/[O:93]=[O:96]\[O:99][O:100][O:101][O:102][O:103][O:104][O:105][O:106][O:107][O:108][O:109][O:110][OH:111])[OH:94])[O:92][O:95](=[O:97])[OH:98])[C@H:65]([NH2:71])[C@H:58]4[CH3:66])[C@H:30]3[CH3:37])([C:25]([OH:73])=[O:74])[CH2:24][C@H:28]([CH3:33])[C@H:31]2[CH2:38][C:45](=[CH2:51])[CH3:52])[CH3:40])[CH2:47][CH3:53])[13CH2:2][CH:4]([C@H:8]([C@@H:9]([CH2:10][CH3:11])[CH3:13])[CH3:12])[C@H:6]([CH2:14][C:15]([CH3:16])=[CH2:17])[C@@H:5]([CH3:7])[CH2:3]1
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:gd1b_hs
biggM:gd1b_hs 		GD1b (homo sapiens)

biggM:M_gd1b_hs 		secondary/obsolete/fantasy identifier