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Ferroleghemoglobin
MNXM91195 is deprecated and here replaced by MNXM741377
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM741377 |
 |
| reference | seedM:cpd12160 |
| formula | C36H36FeN4O2 |
| global charge | 4 |
| mol weight | 612.555 |
| InChIKey | MUZOOLFYNBCEIQ-RJVCBFQPSA-N |
| InChI | InChI=1S/C36H36N4O2.Fe/c1-9-25-21(5)29-15-30-23(7)27(13-11-19(3)41)35(39-30)18-36-28(14-12-20(4)42)24(8)32(40-36)17-34-26(10-2)22(6)31(38-34)16-33(25)37-29;/h9-10,15-18H,1-2,11-14H2,3-8H3;/q-2;+6/b29-15-,30-15-,31-16-,32-17+,33-16-,34-17-,35-18-,36-18-; |
| SMILES | C=CC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5C(C)=C(CCC(C)=O)C6=[N+]5[Fe+2]5(N7C(=CC1=[N+]25)C(C)=C(CCC(C)=O)C7=C6)N43 |
MNX internals
| InChI (mnx) | InChI=1/C36H36N4O2.Fe/c1-9-25-21(5)29-15-30-23(7)27(13-11-19(3)41)35(39-30)18-36-28(14-12-20(4)42)24(8)32(40-36)17-34-26(10-2)22(6)31(38-34)16-33(25)37-29;/h9-10,15-18H,1-2,11-14H2,3-8H3;/q-2;+6/b29-15-,30-15-,31-16-,32-17-,33-16-,34-17-,35-18-,36-18-; |
 |
| SMILES (mnx) | [CH2:1]=[CH:9][C:25]1=[C:21]([CH3:5])/[C:29]2=[CH:15]/[C:30]3=[N:39]/[C:35](=[CH:18]\[C:36]4=[N:40]/[C:32](=[CH:17]\[C:34]5=[C:26]([CH:10]=[CH2:2])[C:22]([CH3:6])=[C:31](/[CH:16]=[C:33]/1[N-:37]2)[N-:38]5)[C:24]([CH3:8])=[C:28]4[CH2:14][CH2:12][C:20]([CH3:4])=[O:42])[C:27]([CH2:13][CH2:11][C:19]([CH3:3])=[O:41])=[C:23]3[CH3:7].[Fe+6:43] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 3 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
seed.compound:cpd12160
seedM:cpd12160
MUZOOLFYNBCEIQ-RJVCBFQPSA-N
| Ferroleghemoglobin
ferroleghemoglobin
|
seedM:M_cpd12160
| secondary/obsolete/fantasy identifier
|