L-Canaline

HCID 441443CAS 496-93-5

기본 정보

표준 SMILES: NOCC[C@H](N)C(=O)O
InChIKey: FQPGMQABJNQLLF-VKHMYHEASA-N
분자식: C4H10N2O3
평균 분자량: 134.13 g/mol
단동위원소 질량: 134.06914218

개요

L-canaline is a non-proteinogenic L-alpha-amino acid that is L-homoserine in which the hydroxy group at position 4 is substituted by an aminooxy group. It has been isolated from legumes and plays an essential role in lugume chemical defense against insects. It has a role as a phytogenic insecticide, an antimetabolite, an antineoplastic agent and a plant metabolite. It is functionally related to a L-homoserine. It is a tautomer of a L-canaline zwitterion.

이름 및 식별자

우선 이름: L-Canaline
IUPAC: (2S)-2-amino-4-aminooxybutanoic acid

이름 및 동의어

CanalineL-Canaline496-93-5O-Amino-L-homoserineL-Homoserine, O-amino-(2S)-2-amino-4-aminooxybutanoic acidT7H2XP1ZNS1-Amino-3-amino-oxybutyric acid2-Amino-4-(aminooxy)butyric acidL-2-amino-4-(aminooxy)butyric acidCHEBI:41401DTXSID60197925

이름 더 보기

RefChem:573705DTXCID20120416(2S)-4-aminooxy-2-azaniumylbutanoate(S)-2-Amino-4-(aminooxy)butanoic acid(2S)-2-amino-4-(aminooxy)butanoic acidL-2-amino-4-(aminooxy)butyrateL-a-amino-g-(aminooxy)-n-butyric acidUNII-T7H2XP1ZNS

데이터베이스 식별자

CAS: 496-93-5
PubChem CID: 441443
DTXSID: DTXSID60197925
ChEMBL: CHEMBL1231652
ChEBI: CHEBI:41401
UNII: T7H2XP1ZNS
EC Number: 863-088-7
Nikkaji: J12.573C

물성

구조 계산 물성

XLogP: -4.6
극성 표면적: 98.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 95.8

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionSolid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

연결된 노트

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