NADP nicotinamide-adenine-dinucleotide phosphate
기본 정보
- CAS
604-79-5- 표준 SMILES
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1- InChIKey
XJLXINKUBYWONI-NNYOXOHSSA-O- 분자식
- C21H29N7O17P3+
- 평균 분자량
- 744.4 g/mol
- 단동위원소 질량
- 744.08272878
개요
NADP(+) is a NAD(P)(+) and a NADP. It has a role as a cofactor and a fundamental metabolite. It is a conjugate acid of a NADP zwitterion and a NADP(3-).
이름 및 식별자
- 우선 이름
- NADP nicotinamide-adenine-dinucleotide phosphate
- IUPAC
- [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
이름 및 동의어
Codehydrase IInadp nicotinamide-adenine-dinucleotide phosphate[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate12751-04-1141442-04-8nicotinamide adenine dinucleotide phosphate (NADP)112429-07-9122985-21-1144906-21-8604-79-5b-NADPBRN 3885115
이름 더 보기
FENOPON TC-42TPNSpectrum_001530Spectrum2_000023Spectrum4_000862Spectrum5_001481bmse000263KBioGR_001523
데이터베이스 식별자
- CAS
604-79-5- PubChem CID
- 5886
- DTXSID
DTXSID401102609- ChEMBL
CHEMBL5079525- ChEBI
CHEBI:18009- Nikkaji
- J1.880.131K、J947.605I
물성
구조 계산 물성
- XLogP
- -7
- 극성 표면적
- 365 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 48
- 형식 전하
- 1
- 복잡도
- 1,300
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Collision Cross Section
228.27 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
240.9 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
관련 반응
131건
화합물 노트
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