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ferriheme a

PropertiesImageOccurences in reactions
MNX_IDMNXM1107982Image of MNXM1107982
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC49H54FeN4O6
charge-1
mass850.33982
referencemetacycM:CPD-13733
InChIKeyHIXFOFPPNIASLP-PRYGPKJJSA-J
InChIInChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+3/p-4/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t46-;/m0./s1
SMILESC=CC1=C(C)C2=Cc3c([C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)c4n3[Fe-]35n6c(c(C)c(CCC(=O)[O-])c6=CC6=[N+]3C(=C4)C(C=O)=C6CCC(=O)[O-])=CC1=[N+]25
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Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-13733
metacycM:CPD-13733
ferriheme a