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CHEBI:44085 - N-methylmesoporphyrin

ChEBI IDCHEBI:44085
ChEBI NameN-methylmesoporphyrin
Stars
ASCII NameN-methylmesoporphyrin
DefinitionA mesoporphyrin with an N-methyl substituent at the 22-position.
Last Modified14 June 2021
DownloadsMolfile
FormulaC35H40N4O4
Net Charge0
Average Mass580.729
Monoisotopic Mass580.30496
SMILESCCC1=C(C)c2cc3c(CC)c(C)c(cc4nc(cc5nc(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)n3C
InChIInChI=1S/C35H40N4O4/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28/h14-17,36H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-16-,28-17-,29-14-,30-15-,31-15-,32-16-,33-17-
InChIKeyYNWHQWMCLCANDI-YIYRCNGCSA-N
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
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)
N-methylmesoporphyrin (CHEBI:44085) has role epitope (CHEBI:53000)
N-methylmesoporphyrin (CHEBI:44085) is a mesoporphyrins (CHEBI:59559)
N-methylmesoporphyrin (CHEBI:44085) is conjugate acid of N-methylmesoporphyrin(2−) (CHEBI:176424)
Incoming Relation(s)
N-methylmesoporphyrin(2−) (CHEBI:176424) is conjugate base of N-methylmesoporphyrin (CHEBI:44085)
IUPAC Name 
3,3'-(8,13-diethyl-3,7,12,17,22-pentamethyl-22,24-dihydroporphyrin-2,18-diyl)dipropanoic acid
Synonyms  Source
N-METHYLMESOPORPHYRINPDBeChem
3,3'-(8,13-diethyl-3,7,12,17,22-pentamethylporphyrin-2,18-diyl)dipropanoic acidPDBeChem
N-methylmesoporphyrin IXChEBI
Manual XrefsDatabases
MMPPDBeChem
1N7MPDB
1NGWPDB
DB01911DrugBank
Registry NumbersSources
Reaxys:9980853Reaxys
CAS:130641-26-8ChemIDplus
Citations