FComEx: Allocystathionine (PC000346)

Record Information

Version

1.0

Creation date

2015-10-09 22:30:04 UTC

Update date

2017-01-19 02:36:20 UTC

FoodComEx ID

PC000346

FoodDB Record

FDB022055

Chemical Information

Name

Allocystathionine

Description

Allocystathionine is a product of enzyme cystathionine synthetase [EC 2.5.1.48] which converts homocysteine to allocystathionine in the sulfur metabolism pathway. It is also the substrate of enzyme cystathionine beta-lyase [4.4.1.8] in the same pathway. (KEGG) [HMDB]

CAS Number

535-34-2

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
a-amino-g-(2-amino-2-carboxyethylmercapto)-Butyric acid	hmdb
alpha-amino-gamma-(2-amino-2-carboxyethylmercapto)-Butyric acid	hmdb
DL-Allocystathionine	hmdb
DL-S-(2-amino-2-carboxyethyl)-Homocysteine	hmdb

Chemical Formula

C7H14N2O4S

IUPAC name

(2S)-2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid

InChI Identifier

InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5?/m0/s1

InChI Key

ILRYLPWNYFXEMH-ROLXFIACSA-N

Isomeric SMILES

N[C@@H](CCSCC(N)C(O)=O)C(O)=O

Average Molecular Weight

222.262

Monoisotopic Molecular Weight

222.067427636

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cysteine and derivatives. Cysteine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Cysteine and derivatives

Alternative Parents