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CHEBI:47460 - DIMETHYL PROPIONATE ESTER HEME

Default Structure
ChEBI IDCHEBI:47460
ChEBI NameDIMETHYL PROPIONATE ESTER HEME
Stars
DownloadsMolfile
FormulaC36H36FeN4O4
Net Charge0
Average Mass644.553
Monoisotopic Mass644.20859
SMILES[H]C([H])=C([H])c1c(C([H])([H])[H])c2[n]3c1C([H])=c1c(C([H])([H])[H])c(C([H])([H])C([H])([H])C(=O)OC([H])([H])[H])c4[n]1[Fe@TB3]31[n]3c(c(C([H])([H])[H])c(C([H])([H])C([H])([H])C(=O)OC([H])([H])[H])c3C=4[H])C([H])=c3c(C([H])([H])[H])c(C([H])=C([H])[H])c([n]31)=C2[H]
InChIInChI=1S/C36H36N4O4.Fe/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27;/h9-10,15-18H,1-2,11-14H2,3-8H3;/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-;
InChIKeyJYGCSHZHSROCAZ-YPFLCKFZSA-N
ChEBI Ontology
Outgoing Relation(s)
DIMETHYL PROPIONATE ESTER HEME (CHEBI:47460) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[dimethyl 3,3'-(7,12-diethenyl-3,8,13,17-tetramethyl-22,24-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoatato(4-)]ironPDBeChem
DIMETHYL PROPIONATE ESTER HEMEPDBeChem
Manual XrefsDatabases
HDMPDBeChem