Molecule

(2R,4S)-4-amino-2-hydroxy-2-methylpentanedioic acid

AlkaPlorer ID: AK319783

Synonym: None

IUPAC Name: (2S,4S)-4-amino-2-hydroxy-2-methylpentanedioic acid

SMILES: C[C@](O)(C[C@H](N)C(=O)O)C(=O)O

InChI: InChI=1S/C6H11NO5/c1-6(12,5(10)11)2-3(7)4(8)9/h3,12H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,6-/m0/s1

InChIKey: ONTAOGAXMOTXQW-DZSWIPIPSA-N

PubChem CID: 440894

CAS: 53202-98-5

LOTUS: LTS0013159

NPASS: NPC295652

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Artemisia borealis	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Haplophyllum acutifolium	Haplophyllum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Caylusea abyssinica	Caylusea	Resedaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heracleum dissectum	Heracleum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Turraea wakefieldii	Turraea	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thryptomene saxicola	Thryptomene	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 177.156

TPSA？: 120.85

MolLogP？: -1.3759999999999994

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT006582	CC(O)(CC(=O)C(=O)O)C(=O)O>>C[C@](O)(C[C@H](N)C(=O)O)C(=O)O	R05077
AKRT014179	C[C@](O)(C[C@H](N)C(=O)O)C(=O)O>>CC(O)(CC(=O)C(=O)O)C(=O)O	R05077
AKRT014585	C[SAH].C[SAH].C[SAH].C[C@](O)(C[C@H](N)C(=O)O)C(=O)O.O=C(O)CC(=O)[CoA].O=C(O)CC(=O)[CoA].O=C(O)CC(=O)[CoA].O=C(O)CC(=O)[CoA].O=C(O)CC(=O)[CoA].O=C(O)CC(=O)[CoA].O=C(O)CC(=O)[CoA]>>C/C=C(C)/C=C/C=C/C[C@@H](C)C[C@@H](C)/C=C/C(=O)[C-]1C(=O)N[C@@H](C[C@](C)(O)C(=O)O)C1=O	67264