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

beta-alanyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1378919 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C24H38N8O17P3S charge -3 mass 835.586 reference metacycM:BETA-ALANYL-COA InChIKey OIKPXGRGSUBNRF-UHFFFAOYSA-K InChI InChI=1S/C24H41N8O17P3S/c1-12(25)23(37)53-7-6-27-14(33)4-5-28-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9,25H2,1-3H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-3 SMILES [CH3:1][CH:12]([C:23](=[O:37])[S:53][CH2:7][CH2:6][N:27]=[C:14]([CH2:4][CH2:5][N:28]=[C:21]([CH:18]([C:24]([CH3:2])([CH3:3])[CH2:9][O:46][P:52]([OH:43])(=[O:44])[O:49][P:51]([OH:41])(=[O:42])[O:45][CH2:8][CH:13]1[CH:17]([O:48][P:50]([OH:38])([OH:39])=[O:40])[CH:16]([OH:34])[CH:22]([n:32]2[cH:11][n:31][c:15]3[c:19]([NH2:26])[n:29][cH:10][n:30][c:20]32)[O:47]1)[OH:35])[OH:36])[OH:33])[NH2:25]

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Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:BETA-ALANYL-COA metacycM:BETA-ALANYL-COA	beta-alanyl-CoA