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beta-hematin
MNXM44113 is deprecated and here replaced by MNXM736169
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM736169 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
1 |
|
| formula | C68H60Fe2N8O8 |
| charge | -2 |
| mass | 1228.32438 |
| reference | chebi:55377 |
| InChIKey | HXEIDFYYVJVSGW-AWOXZACZSA-F |
| InChI | InChI=1S/2C34H34N4O4.2Fe/c2*1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h2*7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;/q;;2*+3/p-8/b2*25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;; |
| SMILES | C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-2]356OC(=O)CCc7c(C)c8n9c7=CC7=[N+]%10C(=Cc%11c(C)c(C=C)c%12n%11[Fe-2]9%10(OC(=O)CCC9=C(C)C(=C4)[N+]3=C9C=c3c(CCC(=O)[O-])c(C)c(n35)=CC1=[N+]26)[N+]1=C(C=8)C(C=C)=C(C)C1=C%12)C(C)=C7CCC(=O)[O-] |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:55377
chebi:55377
| beta-hematin
mu-[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-1kappa(4)N(21),N(22),N(23),N(24))dipropanoato(4-)]-mu-[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-2kappa(4)N(21),N(22),N(23),N(24))dipropanoato-1kappaO(4-)]diferrate(2-)
|
metacyc.compound:CPD-11680
metacycM:CPD-11680
| beta-hematin
|
