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CHEBI:147292 - Fe(II)-hydroxyheme i(2−)

ChEBI IDCHEBI:147292
ChEBI NameFe(II)-hydroxyheme i(2−)
Stars
ASCII NameFe(II)-hydroxyheme i(2-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC49H56FeN4O7
Net Charge-2
Average Mass868.853
Monoisotopic Mass868.35093
SMILESC=CC1=C(C)C2=Cc3c([C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)c4[n]3[Fe-2]35[n]6c(c(C)c(CCC(=O)[O-])c6=CC6=[N+]3C(=C4)C(C(O)O)=C6CCC(=O)[O-])=CC1=[N+]25
InChIInChI=1S/C49H60N4O7.Fe/c1-9-33-30(6)37-24-42-47(44(54)18-12-17-29(5)16-11-15-28(4)14-10-13-27(2)3)32(8)38(52-42)25-43-48(49(59)60)35(20-22-46(57)58)41(53-43)26-40-34(19-21-45(55)56)31(7)36(51-40)23-39(33)50-37;/h9,13,15,17,23-26,44,49,54,59-60H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-4/b28-15+,29-17+,36-23-,37-24-,38-25-,39-23-,40-26-,41-26-,42-24-,43-25-;/t44-;/m0./s1
InChIKeyWLGRCQGURUMQMH-JEZRNDINSA-J
ChEBI Ontology
Outgoing Relation(s)
Fe(II)-hydroxyheme i(2−) (CHEBI:147292) is a cyclic tetrapyrrole anion (CHEBI:58941)
UniProt Name  Source
Fe(II)-hydroxyheme iUniProt
Manual XrefsDatabases
CPD-19776MetaCyc
Citations