RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136058
RefMet name	Protoporphyrinogen IX
Systematic name	3-[20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid
Synonyms	PubChem Synonyms
Exact mass	568.304956 (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	C34H40N4O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37600 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C34H40N4O4/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/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)
InChIKey	UHSGPDMIQQYNAX-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C=Cc1c(C)c2Cc3c(C)c(CCC(=O)O)c(Cc4c(CCC(=O)O)c(C)c(Cc5c(C=C)c(C)c(Cc1[nH]2)[nH]5)[nH]4)[nH]3 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Porphyrins
Sub Class	Porphyrins
Distribution of Protoporphyrinogen IX 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 Protoporphyrinogen IX
External Links
Pubchem CID	121893
ChEBI ID	15435
KEGG ID	C01079
HMDB ID	HMDB0001097
Chemspider ID	108741
MetaCyc ID	PROTOPORPHYRINOGEN
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 Protoporphyrinogen IX

Rxn ID	KEGG Reaction	Enzyme
R03220	Coproporphyrinogen III + Oxygen <=> Protoporphyrinogen IX + 2 CO2 + 2 H2O	Coproporphyrinogen:oxygen oxidoreductase(decarboxylating)
R03222	Protoporphyrinogen IX + 3 Oxygen <=> Protoporphyrin + 3 Hydrogen peroxide	protoporphyrinogen-IX:oxygen oxidoreductase
R06895	Coproporphyrinogen III + 2 S-Adenosyl-L-methionine <=> Protoporphyrinogen IX + 2 CO2 + 2 L-Methionine + 2 5'-Deoxyadenosine	coproporphyrinogen-III:S-adenosyl-L-methionine oxidoreductase(decarboxylating)
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 Protoporphyrinogen IX

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	3
hsa01240	Biosynthesis of cofactors	3
hsa00860	Porphyrin and chlorophyll metabolism	2