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Heme arginate

Structure via PubChem · Public domain (PubChem)

EntityQ14035818· pop 6· linked from 2 articles

Heme arginate

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chemical compound

Chemical data

Formula
C40H48FeN8O6+2
Molecular weight
792.7 g/mol
IUPAC name
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;iron(2+)
SMILES
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C.C(C[C@@H](C(=O)O)N)CN=C(N)N.[Fe+2]
InChIKey
MGQITOFVXOEWNL-INZIHYEWSA-N
Polar surface area
260 Ų
H-bond donors
8
H-bond acceptors
10
Formal charge
2

via PubChem

Wikidata facts

Mass
792.30352159618
Show 3 more facts
isomeric 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.C(C[C@@H](C(=O)O)N)CN=C(N)N.[Fe+2]
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.C(CC(C(=O)O)N)CN=C(N)N.[Fe+2]
chemical formula
C₄₀H₄₈FeN₈O₆²⁺
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