Protoporphyrin IX

enlarge

Systematic / IUPAC Name: 3-[18-(2-Carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

ID: Reference1354

Other Names: 3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-2,18-porphyrindiyl)dipropanoic acid;
3,3'-[(2Z,7Z,11Z,17Z)-5,9,14,19-Tetramethyl-10,15-divinyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6 18,11 113,16]tetracosa-1(21),2,4,6(24),7,9,11,13,15,17,19-undecaene-4,20-diyl]dipropanoic acid;
Protoporphyrin IX;
Protoporphyrin;
Porphyrinogen IX

Formula: C34H34N4O4

Class: Endogenous Metabolites

Spectral Data

Protoporphyrin IX mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 133
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 10/18/2016 11:43:18 AM
View Mass Spec Data > >

Identificators

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)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,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-
InChI Key ZCFFYALKHPIRKJ-UJJXFSCMSA-N
Canonical SMILES CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C=C)C)C=C
CAS 553128
Splash
Other Names 3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-2,18-porphyrindiyl)dipropanoic acid;
3,3'-[(2Z,7Z,11Z,17Z)-5,9,14,19-Tetramethyl-10,15-divinyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6 18,11 113,16]tetracosa-1(21),2,4,6(24),7,9,11,13,15,17,19-undecaene-4,20-diyl]dipropanoic acid;
Protoporphyrin IX;
Protoporphyrin;
Porphyrinogen IX

In Other Databases

ChemSpider 4800
Wikipedia Protoporphyrin IX
KEGG C00032; C02191; C03184; C03516; D02265
ChemIDPlus 000553128; 014875968; 015442645; 050865015; 068034491; 100438924
PubChem 4971