magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester (CHEBI:15433)

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CHEBI:15433 - magnesium 13¹-oxoprotoporphyrin 13-monomethyl ester

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ChEBI ID	CHEBI:15433
ChEBI Name	magnesium 13¹-oxoprotoporphyrin 13-monomethyl ester
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ASCII Name	magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester
Secondary ChEBI IDs	CHEBI:10872, CHEBI:11323, CHEBI:29464
Last Modified	21 October 2019
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C35H32MgN4O5
Net Charge	0
Average Mass	612.969
Monoisotopic Mass	612.22231
SMILES	C=CC1=C(C)C2=[N]3C1=Cc1c(C)c(C(=O)CC(=O)OC)c4[n]1[Mg]31[N]3=C(C=c5c(C)c(C=C)c([n]51)=C2)C(C)=C(CCC(=O)O)C3=C4
InChI	InChI=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-2/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;
InChIKey	IOQIILLGNAOXJE-JXBSUKTBSA-L

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).

ChEBI Ontology

Outgoing Relation(s)
	magnesium 13¹-oxoprotoporphyrin 13-monomethyl ester (CHEBI:15433) has functional parent magnesium protoporphyrin 13-monomethyl ester (CHEBI:15432)
	magnesium 13¹-oxoprotoporphyrin 13-monomethyl ester (CHEBI:15433) is a dicarboxylic acid monoester (CHEBI:36244)
	magnesium 13¹-oxoprotoporphyrin 13-monomethyl ester (CHEBI:15433) is a magnesium porphyrin (CHEBI:25111)
	magnesium 13¹-oxoprotoporphyrin 13-monomethyl ester (CHEBI:15433) is a methyl ester (CHEBI:25248)
	magnesium 13¹-oxoprotoporphyrin 13-monomethyl ester (CHEBI:15433) is conjugate acid of magnesium 13¹-oxoprotoporphyrin 13-monomethyl ester(1−) (CHEBI:60490)
Incoming Relation(s)
Incoming Relation(s)	magnesium 13¹-oxoprotoporphyrin 13-monomethyl ester(1−) (CHEBI:60490) is conjugate base of magnesium 13¹-oxoprotoporphyrin 13-monomethyl ester (CHEBI:15433)

IUPAC Name
{3-[18-(3-methoxy-3-oxopropanoyl)-3,7,12,17-tetramethyl-8,13-divinylporphyrin-2-yl-κ⁴N²¹,N²²,N²³,N²⁴]propanoato(2−)}magnesium

Synonyms	Source
[7,12-diethenyl-18-(3-ethoxy-1,3-dioxopropyl)-3,8,13,17-tetramethylporphyrin-2-propanoato]magnesium(II)	JCBN
13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester	KEGG COMPOUND
13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester	KEGG COMPOUND

Manual Xrefs	Databases
C11830	KEGG COMPOUND

Registry Numbers	Sources
Beilstein:5715265	Beilstein