OntologieschebiclassesCHEBI:36160   
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protoporphyrin monomethyl ester
http://purl.obolibrary.org/obo/CHEBI_36160

A dicarboxylic acid monoester that is the monomethyl ester of protoporphyrin.

Also appears inslm
Exact Synonyms
3-[8,13-diethenyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-2-yl]propanoic acid
Related Synonyms
7,12-diethenyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-2-propanoic acid
protoporphyrin IX monomethyl ester
class Information
charge

0

formula

C35H36N4O4

has_dbxref
  • CAS:16053-68-2
  • Reaxys:4834384
has_obo_namespace

chebi_ontology

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

in_subset

3_STAR

mass

576.68490

monoisotopicmass

576.27366

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

class Relations