(Q27126890)

inferred from isomeric SMILES

stereoisomer of

N-(5'-phosphonatopyridoxyl)-D-alaninate(2-)

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₁₁H₁₅N₂O₇P²⁻

1 reference

inferred from SMILES

canonical SMILES

CC1=NC=C(C(=C1O)C[NH2+]C(C)C(=O)[O-])COP(=O)([O-])[O-]

1 reference

PPL-L-alanine (English)

6 October 2016

isomeric SMILES

CC1=NC=C(C(=C1O)C[NH2+][C@@H](C)C(=O)[O-])COP(=O)([O-])[O-]

1 reference

PPL-L-alanine (English)

InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/p-2/t7-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

PPL-L-alanine (English)

WACJCHFWJNNBPR-ZETCQYMHSA-L

6 October 2016

InChIKey

2 references

PPL-L-alanine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-2-[({2-Methyl-3-oxido-5-[(phosphonatooxy)methyl]-4-pyridiniumyl}methyl)ammonio]propanoate (English)

6 October 2016

2 references

PPL-L-alanine (English)

matched by identifier from

6 October 2016

InChIKey

WACJCHFWJNNBPR-ZETCQYMHSA-L

ChEBI ID

59763

mapping relation type

2 references

N-(5'-phosphonatopyridoxyl)-L-alaninate(2-) (English)