피리독사민-5'-인산염

Pyridoxamine 5'-phosphate

HCID 1053CAS 529-96-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ncc(COP(=O)(O)O)c(CN)c1O
InChIKey
ZMJGSOSNSPKHNH-UHFFFAOYSA-N
분자식
C8H13N2O5P
평균 분자량
248.17 g/mol
단동위원소 질량
248.05620815

개요

Pyridoxamine 5'-phosphate is a vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a member of methylpyridines, a vitamin B6 phosphate, a monohydroxypyridine and an aminoalkylpyridine. It is functionally related to a pyridoxamine. It is a conjugate acid of a pyridoxamine 5'-phosphate(1-).

이름 및 식별자

우선 이름
Pyridoxamine 5'-phosphate
IUPAC
[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
현지명
피리독사민-5'-인산염
영어명
Pyridoxamine-5'-phosphate
분자식
C8H13N2O5P
분자량
248.17

이름 및 동의어

pyridoxamine phosphate529-96-4pyridoxamine 5'-phosphatePYRIDOXAMINE-5'-PHOSPHATEPyridoxamine 5-phosphatePyridoxamine-P[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphateDTXSID3046825Q05R77UO7PCHEBI:18335PYRIDOXAMINE PHOSPHATE ANHYDROUSDTXCID1026825
이름 더 보기
피리독사민-5'-인산염hate)phate)pyridoxaminephosphateZMJGSOSNSPKHNH-ISOYWZQTSA-NPyridoxaMine-d4-5'-phosphatePyridoxamine 5'-phosphoric acidpyridoxamine,dihydrogenphosphatePyridoxamine Phosphate - Labeled d3
(4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate{[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methoxy}phosphonic acid((4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl)methoxy)phosphonic acidRefChem:870904208-471-684878-64-8QWW7V29814Pyridoxamine phosphate [JAN]

데이터베이스 식별자

CAS
529-96-4
PubChem CID
1053
DTXSID
DTXSID3046825
ChEMBL
CHEMBL1235353、CHEMBL3989779
ChEBI
CHEBI:18335
UNII
Q05R77UO7P
EC Number
208-471-6
Nikkaji
J11.364F

물성

구조 계산 물성

XLogP
-4.4
극성 표면적
126 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
7
회전 가능 결합 수
4
무거운 원자 수
16

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section150.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

물리화학적 성질

끓는 점
607.3 · 607.3±65.0 °C(Predicted)
밀도
1.559 · 1.559±0.06 g/cm3(Predicted)
산도 계수 (pKa)
8.61 · pKa 8.61(H2O t = 25 I = 0.15)(Approximate)
물리적 상태
Solid
색상
White to yellow
BRN
233653 · 233653

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
2
rtecs
UT4710000
risk_code
36/37/38
hazard_code
Xi
safety_code
26
F 고인화성물질
3-10

화학 및 산업

약리 정보

Cellular LocationsMitochondria
Metabolite PathwaysHypophosphatasia

응용 분야

용도Pyridoxamine-5''-phosphate is a chromophore that plays a crucial role in the biosynthesis of deoxysugars (e.g. 2-Deoxy-2-chloro-D-glucose [D232570]). Pyridoxamine-5''-phosphate is naturally found in rat liver.

일반 설명Pyridoxamine is a derivative of vitamin B6. Pyridoxamine is a water-soluble vitamin. Vitamin B6 derivatives contain a core pyridine ring. Pyridoxaminecontains an amino methyl group at pyridine′s 4′ position.

상·하류 제품 정보

공급사23 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]

추가 설명

정의ChEBI: A vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine.

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