malonamoyl-CoA

Properties Image MNX_ID MNXM6324 reference chebi:28334 formula C24H39N8O18P3S global charge 0 mol weight 852.603 InChIKey KRWKKOAUSKOTIG-DVVLENMVSA-N InChI InChI=1S/C24H39N8O18P3S/c1-24(2,19(37)22(38)28-4-3-14(34)27-5-6-54-15(35)7-13(25)33)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)32-11-31-16-20(26)29-10-30-21(16)32/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H2,25,33)(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1 SMILES CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(N)=O MNX internals InChI (mnx) InChI=1/C24H39N8O18P3S/c1-24(2,19(37)22(38)28-4-3-14(34)27-5-6-54-15(35)7-13(25)33)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)32-11-31-16-20(26)29-10-30-21(16)32/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H2,25,33)(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1 SMILES (mnx) [CH3:1][C:24]([CH3:2])([CH2:9][O:47][P:53]([OH:44])(=[O:45])[O:50][P:52]([OH:42])(=[O:43])[O:46][CH2:8][C@@H:12]1[C@@H:18]([O:49][P:51]([OH:39])([OH:40])=[O:41])[C@@H:17]([OH:36])[C@H:23]([N:32]2[CH:11]=[N:31][C:16]3=[C:20]([NH2:26])[N:29]=[CH:10][N:30]=[C:21]32)[O:48]1)[C@H:19]([C:22](=[N:28][CH2:4][CH2:3][C:14](=[N:27][CH2:5][CH2:6][S:54][C:15]([CH2:7][C:13](=[NH:25])[OH:33])=[O:35])[OH:34])[OH:38])[OH:37]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 11 in models (compartimentalized) 0