CHEBI:60530 - ferroheme o(2−)

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ChEBI Name ferroheme o(2−)
ChEBI ID CHEBI:60530
ChEBI ASCII Name ferroheme o(2-)
Definition The cyclic tetrapyrrole anion that is ferroheme o protonated to pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Kristian Axelsen
Secondary ChEBI IDs CHEBI:61719
Supplier Information
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Formula C49H56FeN4O5
Net Charge -2
Average Mass 836.83800
Monoisotopic Mass 836.36110
InChI InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-4/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1
InChIKey FISPASSVCDRERW-ARQJTVBPSA-J
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@H](O)c1c(C)c2=CC3=[N+]4C(=Cc5c(CCC([O-])=O)c(C)c6C=C7C(C=C)=C(C)C8=[N+]7[Fe--]4(n56)n2c1=C8)C(CCC([O-])=O)=C3C
ChEBI Ontology
Outgoing ferroheme o(2−) (CHEBI:60530) is a cyclic tetrapyrrole anion (CHEBI:58941)
ferroheme o(2−) (CHEBI:60530) is conjugate base of ferroheme o (CHEBI:36301)
Incoming ferroheme o (CHEBI:36301) is conjugate acid of ferroheme o(2−) (CHEBI:60530)
IUPAC Name
[3,3'-{7-ethenyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-κ4N21,N22,N23,N24}dipropanoato(4−)]iron
Synonym Source
Fe(II)-heme o UniProt
Last Modified
28 September 2017