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CHEBI:36160 - protoporphyrin monomethyl ester

ChEBI IDCHEBI:36160
ChEBI Nameprotoporphyrin monomethyl ester
Stars
DefinitionA dicarboxylic acid monoester that is the monomethyl ester of protoporphyrin.
Last Modified19 August 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC35H36N4O4
Net Charge0
Average Mass576.697
Monoisotopic Mass576.27366
SMILESC=CC1=C(C)c2cc3nc(cc4nc(cc5nc(cc1n2)c(C)c5CCC(=O)OC)C(CCC(=O)O)=C4C)c(C)c3C=C
InChIInChI=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-
InChIKeyUQTUZBGPJOOSQY-RYKNAGBNSA-N
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)
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  Source
protoporphyrin IX monomethyl esterChemIDplus
7,12-diethenyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-2-propanoic acidJCBN
Registry NumbersSources
Reaxys:4834384Reaxys
CAS:16053-68-2ChemIDplus