기본 정보
- CAS
63800-01-1- 표준 SMILES
N[C@@H](CC[C@@H](O)C[n+]1cc(O)c(C[C@H](N)C(=O)O)c(CC[C@H](N)C(=O)O)c1)C(=O)[O-]- InChIKey
LCYXYLLJXMAEMT-SAXRGWBVSA-N- 분자식
- C18H28N4O8
- 평균 분자량
- 428.4 g/mol
- 단동위원소 질량
- 428.19071386
개요
Pyridinoline is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
이름 및 식별자
- 우선 이름
- Pyridinoline
- IUPAC
- (2S,5R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]-5-hydroxyhexanoate
- 영어명
- 2-amino-6-[4-(2-amino-2-carboxy-ethyl)-5-(3-amino-3-carboxy-propyl)-3-hydroxy-pyridin-1-yl]-5-hydroxy-hexanoate
- 분자식
- C18H28N4O8
- 분자량
- 428.44
이름 및 동의어
Pyridinoline63800-01-1Hydroxylysylpyridinoline4-[(2S)-2-AMINO-2-CARBOXYETHYL]-3-[(3S)-3-AMINO-3-CARBOXYPROPYL]-1-[(2R,5S)-5-AMINO-5-CARBOXYLATO-2-HYDROXYPENTYL]-5-HYDROXYPYRIDIN-1-IUMPyridinium, 4-(2-amino-2-carboxyethyl)-1-(5-amino-5-carboxy-2-hydroxypentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-, hydroxide, inner salt4-((2S)-2-amino-2-carboxyethyl)-3-((3S)-3-amino-3-carboxypropyl)-1-((2R,5S)-5-amino-5-carboxylato-2-hydroxypentyl)-5-hydroxypyridin-1-iumhydroxylysyl pyridinolineRefChem:177687(2S,5R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]-5-hydroxyhexanoate(+)-pyridinoline4-[(2S)-2-amino-2-carboxyethyl]-1-[(2R,5S)-5-amino-5-carboxy-2-hydroxypentyl]-5-[(3S)-3-amino-3-carboxypropyl]pyridin-1-ium-3-olate1-(2S)-(+)-pyridinoline
이름 더 보기
Hydroxylysylpyridinoline DISCONTINUED. Please see H954036.2-amino-6-[4-(2-amino-2-carboxy-ethyl)-5-(3-amino-3-carboxy-propyl)-3-hydroxy-pyridin-1-yl]-5-hydroxy-hexanoate
물성
구조 계산 물성
- XLogP
- -8.6
- 극성 표면적
- 237 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 587
실험 및 물리화학적 성질
Physical DescriptionSolid
물리화학적 성질
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 미색부터 베이지까지
- 안정성
- 흡습성
화학 및 산업
약리 정보
Tissue LocationsBladder
응용 분야
용도Hydroxylysylpyridinoline, is a derivative of Pyridinoline, which is a is a fluorescent cross-linking compound of collagen fibers. It is also found to beto be released into the blood during bone degradation, and thus there are proposed as a marker for metastatic bone tumor in patients with prostate cancer.
공급사14 곳
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