Phosphopantetheine

HCID 115254

노트 반응

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기본 정보

CAS: 2226-71-3
표준 SMILES: CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS
InChIKey: JDMUPRLRUUMCTL-VIFPVBQESA-N
분자식: C11H23N2O7PS
평균 분자량: 358.35 g/mol
단동위원소 질량: 358.09635925

이름 및 식별자

우선 이름: Phosphopantetheine
IUPAC: [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate
영어명: [3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphonic acid
분자식: C11H23N2O7PS
분자량: 358.35

이름 및 동의어

4'-phosphopantetheinePhosphopantetheine2226-71-3D-Pantetheine 4'-phosphatepantetheine 4'-phosphatePantetheine-4'-phosphatePsh-4'-PNM39WU8OFM(2R)-2-Hydroxy-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethyl-4-(phosphonooxy)butanamideCHEBI:4222[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphateButanamide, 2-hydroxy-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethyl-4-(phosphonooxy)-, (R)-

이름 더 보기

(R)-3-Hydroxy-4-((3-((2-mercaptoethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl dihydrogen phosphatePhosphopantetheine ammonium4''-PHOSPHOPANTETHEINE (PPT)[3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphonic acidButanamide, 2-hydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-4-(phosphonooxy)-, (2R)-

[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphonic acidN(3)-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamideCHEBI:16858((3R)-3-hydroxy-2,2-dimethyl-3-((2-((2-sulfanylethyl)carbamoyl)ethyl)carbamoyl)propoxy)phosphonic acid((3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-(2-sulfanylethylamino)propyl)amino)butyl) dihydrogen phosphate(2R)-2-Hydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-4-(phosphonooxy)butanamideButanamide, 2-hydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-4-(phosphonooxy)-, (R)-N(3)-((2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl)-N-(2-sulfanylethyl)-beta-alaninamide

데이터베이스 식별자

CAS: 2226-71-3
PubChem CID: 115254
DTXSID: DTXSID30897420
ChEBI: CHEBI:4222
UNII: NM39WU8OFM
Nikkaji: J819.703B

물성

구조 계산 물성

XLogP: -2.1
극성 표면적: 146 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 8
회전 가능 결합 수: 10
무거운 원자 수: 22
형식 전하: 0
복잡도: 427

실험 및 물리화학적 성질

Physical DescriptionSolid

물리화학적 성질

밀도: 1.381 · 1.381±0.06 g/cm3(Predicted)
산도 계수 (pKa): 1.89 · 1.89±0.10(Predicted)

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

Metabolite PathwaysPantothenate and CoA Biosynthesis

공급사5 곳

湖北扬信医药科技有限公司15347293736 · [email protected]

成都标样生物科技有限公司028-81700200 13308200041 · [email protected]

南通韦恩迪医药科技有限公司18071612016 · [email protected]

Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]

江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]

추가 설명

정의ChEBI: Pantetheine 4'-phosphate with D (R) configuration at the 2' position.

화합물 노트

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