RefMet Compound Details

RefMet ID	RM0136082
MW structure	37689 (View MW Metabolite Database details)
RefMet name	Coproporphyrinogen III
Systematic name	3-[9,14,20-tris(2-carboxyethyl)-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
SMILES	Cc1c(CCC(=O)O)c2Cc3c(C)c(CCC(=O)O)c(Cc4c(C)c(CCC(=O)O)c(Cc5c(CCC(=O)O)c(C)c(Cc1[nH]2)[nH]5)[nH]4)[nH]3   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	660.315914 (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	C36H44N4O8	View other entries in RefMet with this formula
InChI	InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7- 11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
InChIKey	NIUVHXTXUXOFEB-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organoheterocyclic compounds
Main Class	Porphyrins
Sub Class	Porphyrins
Pubchem CID	321
ChEBI ID	15439
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Coproporphyrinogen III

Rxn ID	KEGG Reaction	Enzyme
R03197	Uroporphyrinogen III <=> Coproporphyrinogen III + 4 CO2	Uroporphyrinogen-III carboxy-lyase
R03220	Coproporphyrinogen III + Oxygen <=> Protoporphyrinogen IX + 2 CO2 + 2 H2O	Coproporphyrinogen:oxygen oxidoreductase(decarboxylating)
R04178	Coproporphyrinogen III + 3 Oxygen <=> Coproporphyrin III + 3 Hydrogen peroxide	coproporphyrinogen-III:oxygen oxidoreductase (coproporphyrin-forming)
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)

Table of KEGG human pathways containing Coproporphyrinogen III

Pathway ID	Human Pathway	# of reactions
hsa00860	Porphyrin and chlorophyll metabolism	3
hsa01100	Metabolic pathways	1
hsa01240	Biosynthesis of cofactors	1