Molecule ID: 45480653

IUPAC Name: (2S,3S)-2-azaniumyl-3-hydroxy-4-phosphonatooxybutanoate

Description: The molecule is conjugate base of 4-(phosphonooxy)-L-threonine. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 4-(phosphonooxy)-L-threonine.

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

SELFIES: [N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C@H1][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O]

InChI: InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/p-2/t2-,3+/m1/s1

Molecular Properties:
- Polar Surface Area: 160.0 Ų
- LogP: -5.3