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CHEBI:60491 - magnesium protoporphyrin 13-monomethyl ester(1−)

ChEBI IDCHEBI:60491
ChEBI Namemagnesium protoporphyrin 13-monomethyl ester(1−)
Stars
ASCII Namemagnesium protoporphyrin 13-monomethyl ester(1-)
DefinitionThe conjugate base of magnesium protoporphyrin 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:77666
Last Modified17 April 2014
SubmitterKAX, Marcus Ennis
DownloadsMolfile
FormulaC35H33MgN4O4
Net Charge-1
Average Mass597.978
Monoisotopic Mass597.23577
SMILESC=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=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/C35H35N4O4.Mg/c1-8-22-18(3)26-14-27-20(5)24(10-12-34(40)41)32(38-27)17-33-25(11-13-35(42)43-7)21(6)29(39-33)16-31-23(9-2)19(4)28(37-31)15-30(22)36-26;/h8-9,14-17H,1-2,10-13H2,3-7H3,(H2-,36,37,38,39,40,41);/q-1;+2/p-2/b26-14-,27-14-,28-15-,29-16-,30-15-,31-16-,32-17-,33-17-;
InChIKeyJHTBRMHXRULRGV-NCCDZXNNSA-L
ChEBI Ontology
Outgoing Relation(s)
magnesium protoporphyrin 13-monomethyl ester(1−) (CHEBI:60491) is a cyclic tetrapyrrole anion (CHEBI:58941)
magnesium protoporphyrin 13-monomethyl ester(1−) (CHEBI:60491) is a monocarboxylic acid anion (CHEBI:35757)
magnesium protoporphyrin 13-monomethyl ester(1−) (CHEBI:60491) is conjugate base of magnesium protoporphyrin 13-monomethyl ester (CHEBI:15432)
Incoming Relation(s)
magnesium protoporphyrin 13-monomethyl ester (CHEBI:15432) is conjugate acid of magnesium protoporphyrin 13-monomethyl ester(1−) (CHEBI:60491)
Synonym  Source
magnesium protoporphyrinate 13-monomethyl esterChEBI
UniProt Name  Source
Mg-protoporphyrin IX 13-monomethyl esterUniProt