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CHEBI:142463 - harderoheme III(3−)

ChEBI IDCHEBI:142463
ChEBI Nameharderoheme III(3−)
Stars
ASCII Nameharderoheme III(3-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC35H31FeN4O6
Net Charge-3
Average Mass659.500
Monoisotopic Mass659.16094
SMILESC=Cc1c(C)c2[n]3c1C=C1C(C)=C(CCC(=O)[O-])C4=[N+]1[Fe-2]31[n]3c(c(C)c(CCC(=O)[O-])c3=CC3=[N+]1C(=C2)C(C)=C3CCC(=O)[O-])=C4
InChIInChI=1S/C35H36N4O6.Fe/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25;/h6,13-16H,1,7-12H2,2-5H3,(H5,36,37,38,39,40,41,42,43,44,45);/q;+2/p-5/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyWHUQBNXBFVNCIJ-RGGAHWMASA-I
ChEBI Ontology
Outgoing Relation(s)
harderoheme III(3−) (CHEBI:142463) is a cyclic tetrapyrrole anion (CHEBI:58941)
UniProt Name  Source
harderoheme IIIUniProt
Manual XrefsDatabases
CPD-21388MetaCyc
Citations