**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Hydrogenobyrinate

Properties Image with InChI numbering Occurences in reactions MNX_ID MNXM1377701 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0 formula C45H60N4O14 charge 0 mass 880.989 reference keggC:C06399 InChIKey ALLJLLMNGBKZLT-XTOXSSBSSA-N InChI InChI=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/h18,23-26,40,48H,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)/b28-18-,38-21-,39-22-/t23-,24-,25-,26+,40?,42-,43+,44+,45+/m1/s1 SMILES [CH3:1]/[C:21]1=[C:38]2\[C@:42]([CH3:5])([CH2:16][CH2:15][C:32](=[O:56])[OH:57])[C@@H:26]([CH2:17][C:33](=[O:58])[OH:59])[CH:40]([C@@:45]3([CH3:8])[C@@:44]([CH3:7])([CH2:20][C:35](=[O:62])[OH:63])[C@H:25]([CH2:11][CH2:14][C:31](=[O:54])[OH:55])[C:37](=[N:49]3)/[C:22]([CH3:2])=[C:39]3/[C@@:43]([CH3:6])([CH2:19][C:34](=[O:60])[OH:61])[C@H:23]([CH2:9][CH2:12][C:29](=[O:50])[OH:51])[C:27](=[N:46]3)/[CH:18]=[C:28]3/[C:41]([CH3:3])([CH3:4])[C@H:24]([CH2:10][CH2:13][C:30](=[O:52])[OH:53])[C:36]1=[N:47]3)[NH:48]2

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Similar chemical compounds in external resources

Identifier	Description
kegg.compound:C06399 keggC:C06399	Hydrogenobyrinate Hydrogenobyrinic acid
vmhM:hgbyr vmhM:hgbyr vmhmetabolite:hgbyr vmhmetabolite:hgbyr	Hydrogenobyrinate
metacyc.compound:CPD-687 metacycM:CPD-687	hydrogenobyrinate hydrogenobyrinic acid
keggC:M_C06399	secondary/obsolete/fantasy identifier