5-Deoxy-5-aminoshikimic acid

HCID 443636CAS 178948-66-8

기본 정보

표준 SMILES: N[C@@H]1CC(C(=O)O)=C[C@@H](O)[C@H]1O
InChIKey: GSAKPGCLECHWSP-PBXRRBTRSA-N
분자식: C7H11NO4
평균 분자량: 173.17 g/mol
단동위원소 질량: 173.06880783

개요

5-Deoxy-5-aminoshikimic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid. It is a tautomer of a 5-deoxy-5-aminoshikimic acid zwitterion.

이름 및 식별자

우선 이름: 5-Deoxy-5-aminoshikimic acid
IUPAC: (3R,4S,5R)-5-amino-3,4-dihydroxycyclohexene-1-carboxylic acid

이름 및 동의어

Aminoshikimic acid5-Deoxy-5-aminoshikimic acidAminoshikimate178948-66-874Z3GVA58BUNII-74Z3GVA58B1-Cyclohexene-1-carboxylic acid, 5-amino-3,4-dihydroxy-, (3R,4S,5R)-C12121(3R,4S,5R)-5-Amino-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid(3R,4S,5R)-5-Amino-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid1-Cyclohexene-1-carboxylic acid, 5-amino-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))-AC1L9EY2

이름 더 보기

SureCN2832851SCHEMBL2832851CHEBI:29490DTXSID70332123GSAKPGCLECHWSP-PBXRRBTRSA-NQ4746471(3R,4S,5R)-5-amino-3,4-dihydroxy-cyclohexene-1-carboxylic acid1-CYCLOHEXENE-1-CARBOXYLIC ACID, 5-AMINO-3,4-DIHYDROXY-, (3R-(3.ALPHA.,4.ALPHA.,5.BETA.))-

데이터베이스 식별자

CAS: 178948-66-8
PubChem CID: 443636
DTXSID: DTXSID70332123
ChEBI: CHEBI:29490
UNII: 74Z3GVA58B
Nikkaji: J2.054.722G

물성

구조 계산 물성

XLogP: -4.3
극성 표면적: 104 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 225

연결된 노트

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