N-Methylporphyroxine

Properties Image MNX_ID MNXM128501 reference hmdb:HMDB0029376 formula C21H23NO6 global charge 0 mol weight 385.416 InChIKey NRJVOXUCVMTVSZ-UHFFFAOYSA-N InChI InChI=1S/C21H23NO6/c1-22-7-6-11-8-16(24-2)14(23)9-13(11)19-18(22)12-4-5-15-20(27-10-26-15)17(12)21(25-3)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3 SMILES COC1=C(O)C=C2C(=C1)CCN(C)C1C3=C(C4=C(C=C3)OCO4)C(OC)OC21 MNX internals InChI (mnx) InChI=1/C21H23NO6/c1-22-7-6-11-8-16(24-2)14(23)9-13(11)19-18(22)12-4-5-15-20(27-10-26-15)17(12)21(25-3)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3/t18?,19?,21? SMILES (mnx) [CH3:1][N:22]1[CH2:7][CH2:6][C:11]2=[CH:8][C:16]([O:24][CH3:2])=[C:14]([OH:23])[CH:9]=[C:13]2[CH:19]2[CH:18]1[C:12]1=[C:17]([C:20]3=[C:15]([CH:5]=[CH:4]1)[O:26][CH2:10][O:27]3)[CH:21]([O:25][CH3:3])[O:28]2

Parent-child relations graph

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