Molecule ID: 9548602

IUPAC Name: 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid

Description: The molecule is a phosphoamino acid consisting of creatine having a phospho group attached at the primary nitrogen of the guanidino group. It has a role as a human metabolite and a mouse metabolite. It is a phosphoamino acid and a phosphagen. It derives from a creatine. It is a conjugate acid of a N-phosphocreatinate(2-).

SMILES: CN(CC(=O)O)C(=N)NP(=O)(O)O

SELFIES: [C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=N][N][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)

Molecular Properties:
- Polar Surface Area: 136.0 Ų
- LogP: -2.6