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beta-hematin

PropertiesImageOccurences in reactions
MNX_IDMNXM736169Image of MNXM736169
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
formulaC68H60Fe2N8O8
charge-2
mass1228.966
referencechebi:55377
InChIKeyHXEIDFYYVJVSGW-IVSHPUAOSA-F
InChIInChI=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/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16+;25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;
SMILES[CH2:1]=[CH:7][c:21]1[c:17]([CH3:3])/[c:25]2[n-:35][c:29]1=[CH:14][C:27]1=[C:18]([CH3:4])[C:22]([CH:8]=[CH2:2])=[C:30]([CH:15]=[C:28]3[C:20]([CH3:6])=[C:24]([CH2:10][CH2:12][C:34](=[O:41])[OH:42])[C:32](=[N:38]3)[CH:16]=[C:31]3[C:23]([CH2:9][CH2:11][C:33](=[O:39])[OH:40])=[C:19]([CH3:5])[C:26](=[NH+:37]3)/[CH:13]=2)[NH2+:36]1.[CH2:43]=[CH:49][c:63]1[c:59]([CH3:45])[c:67]2[cH:55][c:68]3[n:79][c:73]([cH:58][c:74]4[n:80][c:70]([cH:57][c:72]5[c:64]([CH:50]=[CH2:44])[c:60]([CH3:46])[c:69]([cH:56][c:71]1[n-:77]2)[nH:78]5)[C:62]([CH3:48])=[C:66]4[CH2:52][CH2:54][C:76](=[O:83])[OH:84])[C:65]([CH2:51][CH2:53][C:75](=[O:81])[OH:82])=[C:61]3[CH3:47].[Fe+3:85].[Fe+3:86]
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Similar chemical compounds in external resources
IdentifierDescription
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
seed.compound:cpd23056
seedM:cpd23056
beta-hematin
seedM:M_cpd23056 secondary/obsolete/fantasy identifier