| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:07 UTC |
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| Update date | 2017-01-19 02:36:15 UTC |
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| FoodComEx ID | PC000186 |
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| FoodDB Record | FDB005746 |
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| Chemical Information |
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| Name | Hemin |
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| Description | Hemin (trade name Panhematin) is an iron-containing porphyrin.; Hemin is an iron containing metalloporphyrin. Specifically, the Fe3+ oxidation product of heme is termed hemin. Hemin acts as a feed-back inhibitor on ALA synthase. Hemin also inhibits transport of ALA synthase from the cytosol (its' site of synthesis) into the mitochondria (its' site of action) as well as represses synthesis of the enzyme. Hemin is also known as a drug that is derived from processed red blood cells. Hemin for injection was known previously as hematin. Hemin is found in sea-buckthornberry. |
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| CAS Number | 16009-13-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Chloro(protoporphyrinato)iron | biospider | | Chloroprotoferriheme | biospider | | Chloroprotohemin | biospider | | Chloroprotoporphyrin IX iron | biospider | | Ferric hemin | biospider | | Ferriheme | biospider | | Ferriporphyrin chloride | biospider | | Ferriprotoporphyrin | biospider | | Ferriprotoporphyrin ix | biospider | | Ferriprotoporphyrin IX chloride | biospider | | Haemin | biospider | | Hamin | biospider | | Hemin chloride | biospider | | Hemin ix | biospider | | Hemin porcine | biospider | | Hemin ultra-pure | biospider | | Hemine | biospider | | Iron(III) protoporphyrin chloride | biospider | | Panhematin | biospider | | Protoferriheme | biospider | | Protohemin | biospider | | Protohemin chloride | biospider | | Protohemin ix | biospider | | Teichmann's crystals | biospider |
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| Chemical Formula | C34H32ClFeN4O4 |
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| IUPAC name | 3-[5-(2-carboxyethyl)-1-chloro-14,19-diethenyl-4,10,15,20-tetramethyl-2lambda4,22,23lambda4,25-tetraaza-1-ferraoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-2(6),3(24),4,7,9,11,13(23),14,16,18,20-undecaen-9-yl]propanoic acid |
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| InChI Identifier | InChI=1S/C34H34N4O4.ClH.Fe/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);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;; |
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| InChI Key | BTIJJDXEELBZFS-HXFTUNQESA-K |
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| Isomeric SMILES | [Cl-].[Fe+3].CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C([N-]4)/C=C4\N=C(\C=C\1/[N-]\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O |
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| Average Molecular Weight | 651.94 |
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| Monoisotopic Molecular Weight | 651.146150372 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as metalloporphyrins. These are polycyclic compounds containing a porphyrin moiety and a metal atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Tetrapyrroles and derivatives |
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| Sub Class | Metallotetrapyrroles |
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| Direct Parent | Metalloporphyrins |
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| Alternative Parents | Not Available |
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| Substituents | Not Available |
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 1 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | V1489 |
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| Cayman Chemical | 16487 |
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| Glentham | GE9985 |
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| Toronto Research Chemicals | H245648 |
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