基本情報
- CAS
71861-60-4- 標準SMILES
O=C(O)CCc1c[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c1CC(=O)O- InChIKey
WDFJYRZCZIUBPR-UHFFFAOYSA-N- 分子式
- C40H46N4O17
- 平均分子量
- 854.8 g/mol
- 単同位体質量
- 854.28579601
概要
Preuroporphyrinogen is a member of bilanes. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a preuroporphyrinogen(8-).
名称と識別子
- 優先名称
- 3,8,13,18-Tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid
- IUPAC
- 3-[5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
名称と別名
hydroxymethylbilane71861-60-4DTXSID0011050253,8,13,18-tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid21H-Biline-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-3-[5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid3-(2-((4-(2-Carboxyethyl)-5-((4-(2-carboxyethyl)-5-((4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl)methyl)-3-(carboxymethyl)-1H-pyrrol-2-yl)methyl)-3-(carboxymethyl)-1H-pyrrol-2-yl)methyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-3-yl)propanoic acid3-(5-((3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl)methyl)-2-((4-(2-carboxyethyl)-5-((4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl)methyl)-3-(carboxymethyl)-1H-pyrrol-2-yl)methyl)-4-(carboxymethyl)-1H-pyrrol-3-yl)propanoic acid3-(5-((3-(2-carboxyethyl)-5-((3-(2-carboxyethyl)-5-((3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl)methyl)-4-(carboxymethyl)-1H-pyrrol-2-yl)methyl)-4-(carboxymethyl)-1H-pyrrol-2-yl)methyl)-4-(carboxymethyl)-1H-pyrrol-3-yl)propanoic acid3-(5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl}-2-{[4-(2-carboxyethyl)-5-{[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl)propanoic acid3-[2-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-3-yl]propanoic acidRefChem:147215
名称をさらに表示
DTXCID301536702Preuroporphyrinogen(Hydroxymethyl)bilane3,8,13,18-tetrakis(carboxymethyl)-19-(hydroxymethyl)bilane-2,7,12,17-tetrapropanoic acidHydroxymethylbilane(HMB)C01024CHEMBL273676SCHEMBL18547975
データベース識別子
- CAS
71861-60-4- PubChem CID
- 788
- DTXSID
DTXSID001105025- ChEMBL
CHEMBL273676- ChEBI
CHEBI:16645- Nikkaji
- J618.630K
物性
構造計算による物性
- XLogP
- -0.9
- 極性表面積
- 382 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 17
- 回転可能結合数
- 27
- 重原子数
- 61
- 形式電荷
- 0
- 複雑度
- 1,600
実験および物理化学的性質
Physical DescriptionSolid
化学と産業
薬理情報
Cellular LocationsCytoplasm
Metabolite PathwaysAcute Intermittent Porphyria
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