기본 정보
- 표준 SMILES
O=P(O)(O)OC[C@H](O)CO- InChIKey
AWUCVROLDVIAJX-GSVOUGTGSA-N- 분자식
- C3H9O6P
- 평균 분자량
- 172.07 g/mol
- 단동위원소 질량
- 172.01367464
개요
Sn-glycerol 3-phosphate is an sn-glycerol 3-phosphate having unsubstituted hydroxy groups. It has a role as a mouse metabolite, a plant metabolite, an Escherichia coli metabolite and a human metabolite. It is a glycerol 1-phosphate and a member of sn-glycerol 3-phosphates. It is functionally related to a glycerol. It is a conjugate acid of a sn-glycerol 3-phosphate(2-). It is an enantiomer of a sn-glycerol 1-phosphate.
이름 및 식별자
- 우선 이름
- sn-Glycerol 3-phosphate
- IUPAC
- [(2R)-2,3-dihydroxypropyl] dihydrogen phosphate
- 현지명
- [R,(-)]-1-O-포스포노-D-글리세롤
- 영어명
- [R,(-)]-1-O-Phosphono-D-glycerol
- 분자식
- C3H9O6P
- 분자량
- 172.07
이름 및 동의어
sn-Glycerol 3-phosphate17989-41-2D-Glycerol 1-phosphate(R)-glycerol 1-phosphateGlyceryl 1-phosphate, (R)-Glycerol, 1-(dihydrogen phosphate), d-370V52HE4BD-(glycerol 1-phosphate)L-(glycerol 3-phosphate)1,2,3-Propanetriol, 1-(dihydrogen phosphate), (R)-1,2,3-Propanetriol, 1-(dihydrogen phosphate), (2R)-DTXSID5048346
이름 더 보기
[R,(-)]-1-O-포스포노-D-글리세롤α-GalCersn-Glycerol 3-phosphate lithium salt(R)-2,3-Dihydroxypropyl dihydrogen phosphatesn-Glycerol phosphate1-Phospho-D-glyceric acidD-Glycerol 1-phosphoric acid[R,(-)]-1-O-Phosphono-D-glycerolL-Glycerol 3-phosphate lithium saltD-Glycerol 1-phosphate lithium saltsn-Glycerol 3-phosphate lithium salt
CHEBI:15978phosphoric acid mono-((R)-2,3-dihydroxy-propyl) esterRefChem:886478GlyTouCan:G89289AEDTXCID0028321G89289AEsn-glycerol-3-phosphatesn-Glycero-3-phosphate
데이터베이스 식별자
- CAS
17989-41-2、57-03-4- PubChem CID
- 439162
- DTXSID
DTXSID5048346- ChEMBL
CHEMBL1232920- ChEBI
CHEBI:15978- UNII
- 370V52HE4B
- Nikkaji
- J4.456C
물성
구조 계산 물성
- XLogP
- -2.9
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 129
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Solubility1000.0 mg/mL
Melting Point102 - 104 °C
Physical DescriptionSolid
Collision Cross Section
132 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]
130.8 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
127.4 Ų [M-H]-
물리화학적 성질
- 끓는 점
- 485.5 · 485.5±55.0 °C(Predicted)
- 밀도
- 1.738 · 1.738±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 1.84 · 1.84±0.10(Predicted)
- 색상
- White to off-white
- 수용성
- 50 mg/mL · Water: ≥ 50 mg/mL (290.58 mM)
- InChI
- 1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
- InChIKey
- AWUCVROLDVIAJX-GSVOUGTGSA-N
- SMILES
- [P](=O)(OC[C@H](O)CO)(O)O
안전 및 규제
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Metabolite PathwaysCardiolipin Biosynthesis
공급사17 곳
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
南通韦恩迪医药科技有限公司18071612016 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
추가 설명
정의ChEBI: An sn-glycerol 3-phosphate having unsubstituted hydroxy groups.
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