기본 정보
- CAS
89771-75-5- 표준 SMILES
C=C(O[C@@H]1CC(C(=O)O)=C[C@@H](OP(=O)(O)O)[C@H]1O)C(=O)O- InChIKey
QUTYKIXIUDQOLK-PRJMDXOYSA-N- 분자식
- C10H13O10P
- 평균 분자량
- 324.18 g/mol
- 단동위원소 질량
- 324.0246336
개요
5-O-(1-carboxyvinyl)-3-phosphoshikimic acid is a polyunsaturated dicarboxylic acid and a phosphoshikimic acid. It has a role as an Escherichia coli metabolite. It is functionally related to a shikimic acid. It is a conjugate acid of a 5-O-(1-carboxylatovinyl)-3-phosphonatoshikimate.
이름 및 식별자
- 우선 이름
- 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid
- IUPAC
- (3R,4S,5R)-5-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
- 영어명
- 5-enol-pyruvoylshikimate 3-phosphate (EPSP)
- 분자식
- C10H13O10P
- 분자량
- 324.18
이름 및 동의어
5-O-(1-carboxyvinyl)-3-phosphoshikimic acid89771-75-5CHEBI:16257DTXSID70331414(3R,4S,5R)-5-(1-carboxyethenyloxy)-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acidRefChem:1073183DTXCID20282508O5-(1-Carboxyvinyl)-3-phosphoshikimateCHEMBL3170375-O-(1-carboxyvinyl)-3-phosphoshikimate5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID1-cyclohexene-1-carboxylic acid, 5-[(1-carboxyethenyl)oxy]-4-hydroxy-3-(phosphonooxy)-, (3R,4S,5R)-
이름 더 보기
5-enol-pyruvoylshikimate 3-phosphate (EPSP)
EPSP5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATEorb3179715SCHEMBL29359693QUTYKIXIUDQOLK-PRJMDXOYSA-NBDBM50281341(3R,4S,5R)-5-(1-carboxyethenoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid(3R,4S,5R)-5-((1-Carboxyvinyl)oxy)-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
데이터베이스 식별자
- CAS
89771-75-5- PubChem CID
- 439463
- DTXSID
DTXSID70331414- ChEMBL
CHEMBL317037- ChEBI
CHEBI:16257- Nikkaji
- J630.842B
물성
구조 계산 물성
- XLogP
- -1.8
- 극성 표면적
- 171 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 532
물리화학적 성질
- 끓는 점
- 724 · 724.0±70.0 °C(Predicted)
- 밀도
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.85 · 1.85±0.10(Predicted)
화학 및 산업
상·하류 제품 정보
하류 제품
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