Deoxypyridinoline
기본 정보
- CAS
83462-55-9- 표준 SMILES
N[C@@H](CCCC[n+]1cc(O)c(C[C@H](N)C(=O)O)c(CC[C@H](N)C(=O)O)c1)C(=O)[O-]- InChIKey
ZAHDXEIQWWLQQL-IHRRRGAJSA-N- 분자식
- C18H28N4O7
- 평균 분자량
- 412.4 g/mol
- 단동위원소 질량
- 412.19579924
개요
Deoxypyridinoline is a pyridinium-derived moiety that forms crosslinks in type I collagen in bone. Urine levels of deoxypyridinoline are used as a correlative marker for bone resorption and osteoclast activity; both of these activities may be increased in certain diseases.
이름 및 식별자
- 우선 이름
- Deoxypyridinoline
- IUPAC
- (2S)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoate
- 영어명
- Deoxypyridinoline
- 분자식
- C18H28N4O7
- 분자량
- 412.44
이름 및 동의어
Deoxypyridinoline83462-55-9LysylpyridinolineGXI9WV7IP9DTXSID901316336D-PyrD-PyrilinksPyridinium, 4-((2S)-2-amino-2-carboxyethyl)-1-((5S)-5-amino-5-carboxypentyl)-3-((3S)-3-amino-3-carboxypropyl)-5-hydroxy-, inner saltDeoxypyridiniumPyrilinks-DDeoxyPYDN-(5-Amino-5-carboxypentyl)-3-hydroxy-4-(2-amino-2-carboxyethyl)-5-(3-amino-3-carboxypropyl)pyridine
이름 더 보기
Dpd. TFA saltDEOXYPYRIDINOLINE USP/EP/BP(+)-Deoxypyridinoline. TFA saltDesoxypyridinoline DISCONTINUED. OFFER D249900(2R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoate4-[(2S)-2-Amino-2-carboxyethyl]-1-[(5S)-5-amino-5-carboxylatopentyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridinium1-[(5S)-5-Amino-5-carboxylatopentyl]-3-[(3S)-3-amino-3-carboxypropyl]-4-[(2S)-2-amino-2-carboxyethyl]-5-hydroxypyridinium
Pyridinium, 4-(2-amino-2-carboxyethyl)-1-(5-amino-5-carboxypentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-, hydroxide, inner salt, stereoisomer4-((2S)-2-amino-2-carboxyethyl)-3-((3S)-3-amino-3-carboxylatopropyl)-1-((5S)-5-amino-5-carboxypentyl)-5-hydroxypyridin-1-iumRefChem:131991DTXCID401746192Deoxy Pyridinoline(S)-2-Amino-6-(4-((S)-2-amino-2-carboxyethyl)-3-((S)-3-amino-3-carboxypropyl)-5-hydroxypyridin-1-ium-1-yl)hexanoate(2S)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoate(2S)-2-Amino-6-{4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl}hexanoate
물성
구조 계산 물성
- XLogP
- -7.6
- 극성 표면적
- 217 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 557
실험 및 물리화학적 성질
Physical DescriptionSolid
물리화학적 성질
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 1.869 · 1.869±0.10(predicted)
- 색상
- Light yellow to yellow
화학 및 산업
약리 정보
Tissue LocationsKidney
Cellular LocationsCytoplasm
응용 분야
용도A colagen cross-links agent.
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