CHEBI:36160 - protoporphyrin monomethyl ester

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ChEBI Name protoporphyrin monomethyl ester
ChEBI ID CHEBI:36160
Definition A dicarboxylic acid monoester that is the monomethyl ester of protoporphyrin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C35H36N4O4
Net Charge 0
Average Mass 576.68490
Monoisotopic Mass 576.27366
InChI InChI=1S/C35H36N4O4/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/h8-9,14-17,36,39H,1-2,10-13H2,3-7H3,(H,40,41)/b26-14-,27-14-,28-15-,29-16-,30-15-,31-16-,32-17-,33-17-
InChIKey UQTUZBGPJOOSQY-RYKNAGBNSA-N
SMILES COC(=O)CCc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C)c4C=C)c(C)c3C=C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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).
(via porphyrins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing protoporphyrin monomethyl ester (CHEBI:36160) has functional parent protoporphyrin (CHEBI:15430)
protoporphyrin monomethyl ester (CHEBI:36160) is a dicarboxylic acid monoester (CHEBI:36244)
protoporphyrin monomethyl ester (CHEBI:36160) is a protoporphyrins (CHEBI:26361)
IUPAC Name
3-[8,13-diethenyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-2-yl]propanoic acid
Synonyms Sources
7,12-diethenyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-2-propanoic acid JCBN
protoporphyrin IX monomethyl ester ChemIDplus
Registry Numbers Types Sources
16053-68-2 CAS Registry Number ChemIDplus
4834384 Reaxys Registry Number Reaxys
Last Modified
19 August 2011