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CHEBI:22465 - alpha-oxyprotohemin IX

ChEBI IDCHEBI:22465
ChEBI Namealpha-oxyprotohemin IX
Stars
Last Modified3 August 2017
DownloadsMolfile
FormulaC44H41FeN6O5
Net Charge0
Average Mass789.694
Monoisotopic Mass789.24878
SMILESC=CC1=C(C)C2=C([O-])c3c(C=C)c(C)c4[n]3[Fe-3]35([n+]6ccccc6)([n+]6ccccc6)[n]6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25
InChIInChI=1S/C34H34N4O5.2C5H5N.Fe/c1-7-20-19(6)32-34(43)33-21(8-2)16(3)26(37-33)13-24-17(4)22(9-11-30(39)40)28(35-24)15-29-23(10-12-31(41)42)18(5)25(36-29)14-27(20)38-32;2*1-2-4-6-5-3-1;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H5,35,36,37,38,39,40,41,42,43);2*1-5H;/q;;;+3/p-3/b24-13-,25-14-,26-13-,27-14-,28-15-,29-15-,34-32+,34-33+;;;
InChIKeyJWAGXSNWFWYGFA-XUAKKJKFSA-K
ChEBI Ontology
Outgoing Relation(s)
alpha-oxyprotohemin IX (CHEBI:22465) is a heme (CHEBI:30413)
Synonym  Source
alpha-oxyprotohemin IXChEBI