RefMet Compound Details

RefMet IDRM0157538
MW structure50071 (View MW Metabolite Database details)
RefMet nameProtoporphyrin   Species distribution   Sample source distribution
Systematic name7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoic acid
SMILESC=Cc1c(C)c2/C=C\3/C(=C(CCC(=O)O)C(=N3)/C=c\3/c(CCC(=O)O)c(C)/c(=C/C4=N/C(=C\c1[nH]2)/C(=C4C=C)C)/[nH]3)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass562.258006 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC34H34N4O4View other entries in RefMet with this formula
InChIInChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)2
7(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-
16-
InChIKeyKSFOVUSSGSKXFI-UJJXFSCMSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassPorphyrins
Sub ClassPorphyrins
Pubchem CID4971
ChEBI ID15430
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Protoporphyrin

Rxn IDKEGG ReactionEnzyme
R00310 Protoporphyrin + Fe2+ <=> Heme + 2 H+protoheme ferro-lyase (protoporphyrin-forming)
R03222 Protoporphyrinogen IX + 3 Oxygen <=> Protoporphyrin + 3 Hydrogen peroxideprotoporphyrinogen-IX:oxygen oxidoreductase
R09489 Protoporphyrinogen IX + 3 Menaquinone <=> Protoporphyrin + 3 Menaquinolprotoporphyrinogen IX:menaquinone oxidoreductase
R12605 Protoporphyrinogen IX + 3 Acceptor <=> Protoporphyrin + 3 Reduced acceptorprotoporphyrinogen IX oxidase [EC:1.3.99.-]

Table of KEGG human pathways containing Protoporphyrin

Pathway IDHuman Pathway# of reactions
hsa00860 Porphyrin and chlorophyll metabolism 2
hsa01100 Metabolic pathways 2
hsa01240 Biosynthesis of cofactors 2
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