Structure

Protoporphyrinato zinc

CAS
15442-64-5
Catalog Number
ACM15442645
Category
Organic & Printed Electronics
Molecular Weight
626g/mol
Molecular Formula
C34H32N4O4Zn

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Specification

Synonyms
PROTOPORPHYRINATO ZINC;dihydrogen [3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphine-2,18-dipropionato(4-)-N21,N22,N23,N24]zincate(4-);Zinc protoporphyrin trihydrate;Zinc protoporphyrin trihydrate, 95+%
IUPAC Name
zinc;3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid
Canonical SMILES
CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.[Zn+2]
InChI
InChI=1S/C34H34N4O4.Zn/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;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2
InChI Key
FUTVBRXUIKZACV-UHFFFAOYSA-L
Complexity
1580
Covalently-Bonded Unit Count
2
EC Number
239-455-7
Exact Mass
624.171497g/mol
Formal Charge
0
H-Bond Acceptor
8
H-Bond Donor
2
Heavy Atom Count
43
Monoisotopic Mass
624.171497g/mol
Rotatable Bond Count
8
What is the molecular formula of Protoporphyrinato zinc?

The molecular formula of Protoporphyrinato zinc is C34H32N4O4Zn.

What are some synonyms for Protoporphyrinato zinc?

Some synonyms for Protoporphyrinato zinc include Zinc protoporphyrin, Zinc protoporphyrin-9, and PROTOPORPHYRIN IX CONTAINING ZN.

When was Protoporphyrinato zinc created and last modified?

Protoporphyrinato zinc was created on June 24, 2005, and last modified on December 2, 2023.

What is the description of Protoporphyrinato zinc?

Protoporphyrinato zinc is an ionized form of the tetrazole protoporphryin IX that contains zinc in the metal ion binding pocket. Elevated levels are associated with heme deficiency.

In what conditions is Zinc protoporphyrin (ZPP) formed in red blood cells?

Zinc protoporphyrin (ZPP) is formed in red blood cells either in the presence of lead or in the absence of sufficient iron.

What are some pathologies associated with elevated levels of Protoporphyrinato zinc?

Elevated RBC molar ratios of ZPP to heme are indicative of multiple pathologies including lead poisoning, iron deficiency, protoporphyria, and various types of anemia.

What is the Canonical SMILES representation of Protoporphyrinato zinc?

The Canonical SMILES representation of Protoporphyrinato zinc is CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.[Zn+2].

What is the European Community (EC) Number of Protoporphyrinato zinc?

The European Community (EC) Number of Protoporphyrinato zinc is 239-455-7.

What is the Hydrogen Bond Donor Count of Protoporphyrinato zinc?

The Hydrogen Bond Donor Count of Protoporphyrinato zinc is 2.

What is the Heavy Atom Count of Protoporphyrinato zinc?

The Heavy Atom Count of Protoporphyrinato zinc is 43.

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