RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0157538
RefMet name	Protoporphyrin
Systematic name	7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoic acid
Synonyms	PubChem Synonyms
Exact mass	562.258006 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C34H34N4O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	50071 (Download molfile/View MW Metabolite Database details)
InChI	InChI=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-
InChIKey	KSFOVUSSGSKXFI-UJJXFSCMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C=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)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Porphyrins
Sub Class	Porphyrins
Distribution of Protoporphyrin in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Protoporphyrin
External Links
Pubchem CID	4971
ChEBI ID	15430
KEGG ID	C02191
HMDB ID	HMDB0000241
MetaCyc ID	PROTOPORPHYRIN_IX
EPA CompTox	DTXCID5028328
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Protoporphyrin

Rxn ID	KEGG Reaction	Enzyme
R00310	Protoporphyrin + Fe2+ <=> Heme + 2 H+	protoheme ferro-lyase (protoporphyrin-forming)
R03222	Protoporphyrinogen IX + 3 Oxygen <=> Protoporphyrin + 3 Hydrogen peroxide	protoporphyrinogen-IX:oxygen oxidoreductase
R09489	Protoporphyrinogen IX + 3 Menaquinone <=> Protoporphyrin + 3 Menaquinol	protoporphyrinogen IX:menaquinone oxidoreductase
R12605	Protoporphyrinogen IX + 3 Acceptor <=> Protoporphyrin + 3 Reduced acceptor	protoporphyrinogen IX oxidase [EC:1.3.99.-]

Table of KEGG human pathways containing Protoporphyrin

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