2,4-Dihydroxy-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)pteridine

Properties Image MNX_ID MNXM819672 reference sabiorkM:30039 formula C19H18N6O7 global charge 0 mol weight 442.388 InChIKey KFTXGCKSLKYBTJ-UHFFFAOYSA-N InChI InChI=1S/C19H18N6O7/c26-13(27)6-5-12(18(30)31)23-16(28)9-1-3-10(4-2-9)20-7-11-8-21-15-14(22-11)17(29)25-19(32)24-15/h1-4,8,12,20H,5-7H2,(H,23,28)(H,26,27)(H,30,31)(H2,21,24,25,29,32) SMILES O=C(O)CCC(NC(=O)C1=CC=C(NCC2=CN=C3N=C(O)N=C(O)C3=N2)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C19H18N6O7/c26-13(27)6-5-12(18(30)31)23-16(28)9-1-3-10(4-2-9)20-7-11-8-21-15-14(22-11)17(29)25-19(32)24-15/h1-4,8,12,20H,5-7H2,(H,23,28)(H,26,27)(H,30,31)(H2,21,24,25,29,32)/t12? SMILES (mnx) [CH:1]1=[CH:3][C:10]([NH:20][CH2:7][C:11]2=[CH:8][N:21]=[C:15]3[C:14](=[N:22]2)[C:17]([OH:29])=[N:25][C:19]([OH:32])=[N:24]3)=[CH:4][CH:2]=[C:9]1[C:16]([NH:23][CH:12]([CH2:5][CH2:6][C:13](=[O:26])[OH:27])[C:18](=[O:30])[OH:31])=[O:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0