기본 정보
- 표준 SMILES
CC(C)(COP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS- InChIKey
JDMUPRLRUUMCTL-UHFFFAOYSA-N- 분자식
- C11H23N2O7PS
- 평균 분자량
- 358.35 g/mol
개요
Pantetheine 4'-phosphate is a phosphopantetheine and a thiol. It has a role as a cofactor. It is a conjugate acid of a pantetheine 4'-phosphate(2-).
이름 및 식별자
- 우선 이름
- n~3~-(2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl)-n-(2-sulfanylethyl)-beta-alaninamide
- IUPAC
- [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate
이름 및 동의어
n~3~-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate(3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-(2-sulfanylethylamino)propyl)amino)butyl) dihydrogen phosphaten~3~-(2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl)-n-(2-sulfanylethyl)-beta-alaninamideRefChem:366196pantotheine-4'-phosphateSCHEMBL1888154'-phosphopantetheine (95%)orb2817012orb2990746orb29907474?-Phosphopantetheine, free acid
이름 더 보기
[3-Hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphonic acidMFCD18427745DB-322336C300004Q27102113N(3)-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
데이터베이스 식별자
- PubChem CID
- 987
- ChEBI
CHEBI:16858
물성
구조 계산 물성
- XLogP
- -2.1
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 427
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