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CHEBI:60530 - ferroheme o(2−)

Default Structure
ChEBI IDCHEBI:60530
ChEBI Nameferroheme o(2−)
Stars
ASCII Nameferroheme o(2-)
DefinitionThe cyclic tetrapyrrole anion that is ferroheme o protonated to pH 7.3.
Secondary ChEBI IDCHEBI:61719
Last Modified28 September 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC49H56FeN4O5
Net Charge-2
Average Mass836.855
Monoisotopic Mass836.36111
SMILESC=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)[O-])c4[n]1[Fe-2]31[n]3c(c(C)c([C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)[O-])=C2C
InChIInChI=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
InChIKeyFISPASSVCDRERW-ARQJTVBPSA-J
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
UniProt Name  Source
Fe(II)-heme oUniProt