CHEBI:44085 - N-methylmesoporphyrin

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ChEBI Name N-methylmesoporphyrin
ChEBI ID CHEBI:44085
ChEBI ASCII Name N-methylmesoporphyrin
Definition A mesoporphyrin with an N-methyl substituent at the 22-position.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C35H40N4O4
Net Charge 0
Average Mass 580.729
Monoisotopic Mass 580.30496
InChI InChI=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-
InChIKey YNWHQWMCLCANDI-YIYRCNGCSA-N
SMILES CCC1=C(C)\C2=C\C3=C(CC)C(C)=C(\C=C4/N=C(/C=C5\N\C(=C/C1=N2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)N3C
Roles Classification
Biological Role(s): 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).
(via porphyrins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
3,3'-(8,13-diethyl-3,7,12,17,22-pentamethylporphyrin-2,18-diyl)dipropanoic acid PDBeChem
N-METHYLMESOPORPHYRIN PDBeChem
N-methylmesoporphyrin IX ChEBI
Manual Xrefs Databases
1N7M PDB
1NGW PDB
DB01911 DrugBank
MMP PDBeChem
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Registry Numbers Types Sources
130641-26-8 CAS Registry Number ChemIDplus
9980853 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10704318 PubMed citation Europe PMC
12552112 PubMed citation Europe PMC
15600337 PubMed citation Europe PMC
17756791 PubMed citation Europe PMC
23181361 PubMed citation Europe PMC
33206666 PubMed citation Europe PMC
Last Modified
14 June 2021