Porphobilinogen

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Systematic / IUPAC Name: 3-[5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid

ID: Reference1330

Other Names: 5-(Aminomethyl)-4-(carboxymethyl)-pyrrole-3-propionic acid;
5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propionic acid;
5-(Aminomethyl)-4-(carboxymethyl)-pyrrole-3-propionate

Formula: C10H14N2O4

Class: Endogenous Metabolites

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 189
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 9:38:09 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)
InChI Key QSHWIQZFGQKFMA-UHFFFAOYSA-N
Canonical SMILES C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O
CAS 487901
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Other Names 5-(Aminomethyl)-4-(carboxymethyl)-pyrrole-3-propionic acid;
5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propionic acid;
5-(Aminomethyl)-4-(carboxymethyl)-pyrrole-3-propionate

In Other Databases

HMDb HMDB00245
ChemSpider 995
KEGG C00931
ChemIDPlus 000487901
PubChem 1021
Wikipedia Porphobilinogen
ChEBI CHEBI:17381