carbamoyl adenylate

Properties Image MNX_ID MNXM145614 reference chebi:73674 formula C11H14N6O8P global charge -1 mol weight 389.241 InChIKey CHSNPOFVFYPELH-KQYNXXCUSA-M InChI InChI=1S/C11H15N6O8P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-26(21,22)25-11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/p-1/t4-,6-,7-,10-/m1/s1 SMILES NC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C11H15N6O8P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-26(21,22)25-11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1 SMILES (mnx) [CH2:1]([C@@H:4]1[C@@H:6]([OH:18])[C@@H:7]([OH:19])[C@H:10]([N:17]2[CH:3]=[N:16][C:5]3=[C:8]([NH2:12])[N:14]=[CH:2][N:15]=[C:9]32)[O:24]1)[O:23][P:26]([OH:21])(=[O:22])[O:25][C:11](=[NH:13])[OH:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0