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CHEBI:62813 - heme d trans-diol(2−)

ChEBI IDCHEBI:62813
ChEBI Nameheme d trans-diol(2−)
Stars
ASCII Nameheme d trans-diol(2-)
DefinitionA dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of heme d trans-diol.
Last Modified26 August 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H32FeN4O6
Net Charge-2
Average Mass648.497
Monoisotopic Mass648.16822
SMILESC=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C=C)c4[n]1[Fe-2]31[n]3c(c(C)c(CCC(=O)[O-])c3=CC3=[N+]1C(=C4)[C@@](C)(O)[C@@]3(O)CCC(=O)[O-])=C2
InChIInChI=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
InChIKeyGFRHEDKPMCXPFU-YDXXJHAFSA-J
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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)
Citations