코리스믹산

Chorismic Acid

HCID 12039CAS 617-12-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O
InChIKey
WTFXTQVDAKGDEY-HTQZYQBOSA-N
분자식
C10H10O6
평균 분자량
226.18 g/mol
단동위원소 질량
226.04773804

개요

Chorismic acid is the (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid. It has a role as a Saccharomyces cerevisiae metabolite, a plant metabolite and an Escherichia coli metabolite. It is a conjugate acid of a chorismate(2-).

이름 및 식별자

우선 이름
Chorismic Acid
IUPAC
(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
현지명
코리스믹산
영어명
Chorismic acid
분자식
C10H10O6
분자량
226.18

이름 및 동의어

chorismic acid617-12-9chorismateAcid, ChorismicGI1BLY82Y1(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acidCHEBI:17333DTXSID502106971,5-Cyclohexadiene-1-carboxylic acid, 3-((1-carboxyethenyl)oxy)-4-hydroxy-, (3R-trans)-(3R,4R)-3-[(1-carboxyeth-1-en-1-yl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, (3R-trans)-(3R,4R)-3-((1-carboxyeth-1-en-1-yl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
이름 더 보기
코리스믹산chorismicaci(-)-ChorismateCHORISMIC ACID FREE ACID FROM &ChorisMic acid froM Enterobacter aerogenes >=80%2-[(3-Carboxy-6β-hydroxy-2,4-cyclohexadiene-1α-yl)oxy]acrylic acid(3R,4R)-3-((1-carboxyvinyl)oxy)-4-hydroxycyclohexa-1,5-dienecarboxylic acid
RefChem:388880DTXCID80133188Chorismic acid from Enterobacter aerogenes(3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, (3R,4R)-1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyvinyl)oxy]-4-hydroxy-, (3R-trans)-(-)-Chorismic acid (3R-trans)-3-(1-Carboxyvinyloxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acidUNII-GI1BLY82Y1

데이터베이스 식별자

CAS
617-12-9
PubChem CID
12039
DTXSID
DTXSID50210697
ChEBI
CHEBI:17333
UNII
GI1BLY82Y1
EC Number
636-403-9
Nikkaji
J7.035A

물성

구조 계산 물성

XLogP
0.2
극성 표면적
104 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
16

실험 및 물리화학적 성질

Melting Point140 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
105 · 105-108° (dec)
끓는 점
556.1 · 556.1±50.0 °C(Predicted)
밀도
1.49 · 1.49±0.1 g/cm3(Predicted)
저장 조건
-20 °C · -20°C
산도 계수 (pKa)
3.59 · 3.59±0.11(Predicted)
물리적 상태
powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
risk_code
45-20/21/22-36/37/38-63
hazard_code
T
safety_code
53-23-36/37/39-45
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 1BEye Irrit. 2Repr. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도Chorismic acid is a metabolite generally used in the study of chorismate-prephenate rearrangement and to synthesize chorismate derivatives.

상·하류 제품 정보

공급사20 곳

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Syntechem Co.,Ltd[email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

추가 설명

정의ChEBI: The (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid.

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2건
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