ChemicalBook--->CAS DataBase List--->487-90-1

487-90-1

487-90-1 Structure

487-90-1 Structure
IdentificationBack Directory
[Name]

PORPHOBILINOGEN
[CAS]

487-90-1
[Synonyms]

PBG
PORPHOBILINOGEN
porphobilinogen (synth.)
5-(Aminomethyl)-4-(carboxymethyl)pyrrole-3-propionic acid
5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrole-3-propanoicaci
5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propionic acid
5-[AMINOMETHYL]-4-[CARBOXYMETHYL]-1H-PYRROLE-3-PROPANOIC ACID
1H-Pyrrole-3-propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-
3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propionic acid
[EINECS(EC#)]

207-666-3
[Molecular Formula]

C10H14N2O4
[MDL Number]

MFCD00005224
[MOL File]

487-90-1.mol
[Molecular Weight]

226.23
Chemical PropertiesBack Directory
[Melting point ]

174-177℃
[Boiling point ]

479℃
[density ]

1.421
[Fp ]

243℃
[storage temp. ]

-20°C
[solubility ]

Aqueous Base (Slightly), Acetonitrile (Slightly), DMSO (Slightly)
[form ]

powder
[pka]

4.22±0.10(Predicted)
[color ]

light yellow to pink
[Merck ]

13,7681
[BRN ]

220051
[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)
[InChIKey]

QSHWIQZFGQKFMA-UHFFFAOYSA-N
[SMILES]

NCc1[nH]cc(CCC(O)=O)c1CC(O)=O
[EPA Substance Registry System]

Porphobilinogen (487-90-1)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[F ]

8-10
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

An intermediate in the biosynthesis of Heme, found in the urine of patients with acute porphyria.
[Definition]

ChEBI: Porphobilinogen is a dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively. It has a role as a metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a member of pyrroles, a dicarboxylic acid and an aralkylamino compound. It is a conjugate acid of a porphobilinogen(1-).
[Biochem/physiol Actions]

Intermediate in the biosynthesis of heme.
[IC 50]

Human Endogenous Metabolite
[Purification Methods]

Porphobilinogen recrystallises as the monohydrate (pink crystals) from dilute NH4 OAc solutions of pH 4, and is dried in vacuo. The hydrochloride monohydrate has m 165-170o(dec) (from dilute HCl). [Jackson & MacDonald Can J Chem 35 715 1957, Westall Nature 170 614 1952, Bogarad J Am Chem Soc 75 3610 1953, Beilstein 22/14 V 210.]
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