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

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ChEBI Name magnesium protoporphyrin 13-monomethyl ester(1−)
ChEBI ID CHEBI:60491
ChEBI ASCII Name magnesium protoporphyrin 13-monomethyl ester(1-)
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Secondary ChEBI IDs CHEBI:77666
Supplier Information No supplier information found for this compound.
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Formula C35H33MgN4O4
Net Charge -1
Average Mass 597.96600
Monoisotopic Mass 597.23577
InChI InChI=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-;
InChIKey JHTBRMHXRULRGV-NCCDZXNNSA-L
SMILES COC(=O)CCc1c(C)c2C=C3C(C=C)=C(C)C4=[N+]3[Mg--]35n2c1C=C1C(CCC([O-])=O)=C(C)C(C=c2c(C)c(C=C)c(=C4)n32)=[N+]51
ChEBI Ontology
Outgoing 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 magnesium protoporphyrin 13-monomethyl ester (CHEBI:15432) is conjugate acid of magnesium protoporphyrin 13-monomethyl ester(1−) (CHEBI:60491)
Synonyms Sources
magnesium protoporphyrinate 13-monomethyl ester ChEBI
Mg-protoporphyrin IX 13-monomethyl ester UniProt
Last Modified
17 April 2014