CHEBI:62813 - heme d trans-diol(2−)

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ChEBI Name heme d trans-diol(2−)
ChEBI ID CHEBI:62813
ChEBI ASCII Name heme d trans-diol(2-)
Definition A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of heme d trans-diol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C34H32FeN4O6
Net Charge -2
Average Mass 648.48600
Monoisotopic Mass 648.16822
InChI InChI=1S/C34H36N4O6.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(44,12-11-32(41)42)33(6,43)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23;/h7-8,13-16,43-44H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-4/t33-,34-;/m1./s1
InChIKey GFRHEDKPMCXPFU-YDXXJHAFSA-J
SMILES Cc1c(C=C)c2C=C3[N+]4=C(C=c5c(CCC([O-])=O)c(C)c6=CC7=[N+]8C(=Cc1n2[Fe--]48n56)C(C=C)=C7C)[C@](O)(CCC([O-])=O)[C@]3(C)O
ChEBI Ontology
Outgoing heme d trans-diol(2−) (CHEBI:62813) is a dicarboxylic acid dianion (CHEBI:28965)
heme d trans-diol(2−) (CHEBI:62813) is conjugate base of heme d trans-diol (CHEBI:62812)
Incoming heme d trans-diol (CHEBI:62812) is conjugate acid of heme d trans-diol(2−) (CHEBI:62813)
IUPAC Name
{3,3'-[(2RS,3RS)-7,12-diethenyl-2,3-dihydroxy-3,8,13,17-tetramethyl-2,3-dihydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(4−)}ferrate(2)
Citation Waiting for Citations Type Source
8621527 PubMed citation Europe PMC
Last Modified
26 August 2011