기본 정보
- CAS
71861-60-4- 표준 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- 분자식
- C40H46N4O17
- 평균 분자량
- 854.8 g/mol
- 단동위원소 질량
- 854.28579601
개요
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-).
이름 및 식별자
- 우선 이름
- 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
이름 및 동의어
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 acid
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 382 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,600
실험 및 물리화학적 성질
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
Metabolite PathwaysAcute Intermittent Porphyria
관련 반응
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