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CHEBI:60490 - magnesium 131-oxoprotoporphyrin 13-monomethyl ester(1−)

ChEBI IDCHEBI:60490
ChEBI Namemagnesium 131-oxoprotoporphyrin 13-monomethyl ester(1−)
Stars
ASCII Namemagnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester(1-)
DefinitionThe conjugate base of magnesium 131-oxoprotoporphyrin 13-monomethyl ester, formed by deprotonation of the carboxyethyl group at C-17. It is the principal species at pH 7.3.
Secondary ChEBI IDCHEBI:77665
Last Modified17 April 2014
SubmitterKAX, Marcus Ennis
DownloadsMolfile
FormulaC35H31MgN4O5
Net Charge-1
Average Mass611.961
Monoisotopic Mass611.21504
SMILESC=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C(=O)CC(=O)OC)c4[n]1[Mg-2]31[n]3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)[O-])=C2C
InChIInChI=1S/C35H34N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15H,1-2,10-11,16H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;
InChIKeyIOQIILLGNAOXJE-JXBSUKTBSA-K
ChEBI Ontology
Outgoing Relation(s)
magnesium 131-oxoprotoporphyrin 13-monomethyl ester(1−) (CHEBI:60490) is a cyclic tetrapyrrole anion (CHEBI:58941)
magnesium 131-oxoprotoporphyrin 13-monomethyl ester(1−) (CHEBI:60490) is a monocarboxylic acid anion (CHEBI:35757)
magnesium 131-oxoprotoporphyrin 13-monomethyl ester(1−) (CHEBI:60490) is conjugate base of magnesium 131-oxoprotoporphyrin 13-monomethyl ester (CHEBI:15433)
Incoming Relation(s)
magnesium 131-oxoprotoporphyrin 13-monomethyl ester (CHEBI:15433) is conjugate acid of magnesium 131-oxoprotoporphyrin 13-monomethyl ester(1−) (CHEBI:60490)
IUPAC Name 
{3-[18-(3-methoxy-3-oxopropanoyl)-3,7,12,17-tetramethyl-8,13-divinylporphyrin-2-yl-κ4N21,N22,N23,N24]propanoato(3−)}magnesate(1−)
Synonym  Source
magnesium 131-oxoprotoporphyrinate 13-monomethyl esterChEBI
UniProt Name  Source
Mg-131-oxoprotoporphyrin 13-monomethyl esterUniProt