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CHEBI:62807 - iron methylchlorin(2−)

ChEBI IDCHEBI:62807
ChEBI Nameiron methylchlorin(2−)
Stars
ASCII Nameiron methylchlorin(2-)
DefinitionA dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of iron methylchlorin. Major species at pH 7.3.
Last Modified25 August 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC33H34FeN4O4
Net Charge-2
Average Mass606.504
Monoisotopic Mass606.19404
SMILESCC1=C(CCC(=O)[O-])C2=Cc3c(CCC(=O)[O-])c(C)c4[n]3[Fe-2]35[n]6c(c(C)c(C)c6=CC6=[N+]3C(=C4)C(C)(C)C6C)=CC1=[N+]25
InChIInChI=1S/C33H38N4O4.Fe/c1-16-17(2)24-13-27-20(5)33(6,7)30(37-27)15-26-19(4)22(9-11-32(40)41)29(36-26)14-28-21(8-10-31(38)39)18(3)25(35-28)12-23(16)34-24;/h12-15,20H,8-11H2,1-7H3,(H4,34,35,36,37,38,39,40,41);/q;+2/p-4
InChIKeyZJLLQWSACVGYEC-UHFFFAOYSA-J
ChEBI Ontology
Outgoing Relation(s)
iron methylchlorin(2−) (CHEBI:62807) is a dicarboxylic acid dianion (CHEBI:28965)
iron methylchlorin(2−) (CHEBI:62807) is conjugate base of iron methylchlorin (CHEBI:62806)
Incoming Relation(s)
iron methylchlorin (CHEBI:62806) is conjugate acid of iron methylchlorin(2−) (CHEBI:62807)
Citations