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Hydrogenobyrinate

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1377702 Image of MNXM1377702 Image of MNXM1377702
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 2
formulaC45H54N4O14
charge-6
mass874.941
referenceseedM:cpd03832
InChIKeyFJDBIDBCPIOVPG-FVLIVPSMSA-H
InChIInChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,46H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-6/b27-18?,36-21?,39-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
SMILES[CH3:1][C:21]1=[C:36]2[C@@H:24]([CH2:10][CH2:13][C:30](=[O:52])[OH:53])[C:41]([CH3:3])([CH3:4])[C:28](=[N:47]2)[CH:18]=[C:27]2[C@@H:23]([CH2:9][CH2:12][C:29](=[O:50])[OH:51])[C@:43]([CH3:6])([CH2:19][C:34](=[O:60])[OH:61])/[C:39](=[C:22](\[CH3:2])[C:37]3=[N:49][C@@:45]([CH3:8])([C@H:40]4[C@H:26]([CH2:17][C:33](=[O:58])[OH:59])[C@@:42]([CH3:5])([CH2:16][CH2:15][C:32](=[O:56])[OH:57])[C:38]1=[N:48]4)[C@@:44]([CH3:7])([CH2:20][C:35](=[O:62])[OH:63])[C@@H:25]3[CH2:11][CH2:14][C:31](=[O:54])[OH:55])[NH:46]2
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Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd03832
seedM:cpd03832
Hydrogenobyrinate
Hydrogenobyrinic acid
hgbyr
hydrogenobyrinate
hydrogenobyrinic acid
seedM:M_cpd03832 secondary/obsolete/fantasy identifier