Molecule

2-Amino-3-hydroxy-2-(hydroxymethyl)propanoic acid

AlkaPlorer ID: AK019251

Synonym: 2-(Hydroxymethyl)serine, 2,2-Bis(hydroxymethyl)glycine

IUPAC Name: 2-amino-3-hydroxy-2-(hydroxymethyl)propanoic acid

SMILES: NC(CO)(CO)C(=O)O

InChI: InChI=1S/C4H9NO4/c5-4(1-6,2-7)3(8)9/h6-7H,1-2,5H2,(H,8,9)

InChIKey: ZRPDXDBGEYHEBJ-UHFFFAOYSA-N

PubChem CID: 439893

CAS: 17149-11-0

LOTUS: LTS0201219

SuperNatural Ⅲ: SN0478453

NPASS: NPC107645

COCONUT: CNP0232926

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Trichosanthes kirilowii	Trichosanthes	Cucurbitaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 135.119

TPSA？: 103.78000000000002

MolLogP？: -2.2469

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast)	Serine racemase	Ki	167000000.0	nM	10.1016/j.bmcl.2013.10.061
Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast)	Serine racemase	Ki	661000000.0	nM	10.1016/j.bmcl.2013.10.061

AKRT ID	Reaction	Reaction Link ID
AKRT017396	NC(CO)(CO)C(=O)O.N=c1[nH]c2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2>>N=c1[nH]c2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)C[C@H]1CN2	enzymemap_28066
AKRT017397	NC(CO)(CO)C(=O)O>>N[C@H](CO)C(=O)O	enzymemap_28066
AKRT021229	Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2.NC(CO)(CO)C(=O)O>>Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)C[C@H]1CN2	enzymemap_28066