Deuteroporphyrin IX

Properties Image MNX_ID MNXM49219 reference hmdb:HMDB0000579 formula C30H30N4O4 global charge 0 mol weight 510.594 InChIKey KWKUIRGQJJFUCG-LMKUSPAJSA-N InChI InChI=1S/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,31,34H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14- SMILES CC1=CC2=N/C1=C\C1=C(C)C(CCC(=O)O)=C(/C=C3\N=C(/C=C4/C=C(C)/C(=C/2)N4)C(C)=C3CCC(=O)O)N1 MNX internals InChI (mnx) InChI=1/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,31,34H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14- SMILES (mnx) [CH3:1][C:15]1=[CH:9]/[C:20]2=[CH:12]/[C:25]3=[N:33]\[C:27](=[CH:14]/[C:28]4=[C:22]([CH2:6][CH2:8][C:30](=[O:37])[OH:38])[C:18]([CH3:4])=[C:26](/[CH:13]=[C:24]5/[C:16]([CH3:2])=[CH:10][C:19](=[N:32]5)/[CH:11]=[C:23]/1[NH:31]2)[NH:34]4)[C:21]([CH2:5][CH2:7][C:29](=[O:35])[OH:36])=[C:17]3[CH3:3]

Parent-child relations graph

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