
 L-PHOSPHINOTHRICIN

 23 22  0  0  0  0  0  0  0  0999 V2000
    3.5452   -3.5563   -7.4006 C   0  0  0  0  0
    4.3711   -3.0233   -5.9217 P   0  0  0  0  0
    4.9532   -1.6440   -5.9813 O   0  0  0  0  0
    3.2448   -3.2863   -4.5598 C   0  0  0  0  0
    3.6814   -2.7279   -3.2037 C   0  0  0  0  0
    4.8486   -3.4457   -2.5108 C   0  0  0  0  0
    4.5158   -4.9089   -2.1783 C   0  0  0  0  0
    3.4079   -5.3789   -1.9778 O   0  0  0  0  0
    5.6179   -5.6824   -2.0483 O   0  0  0  0  0
    6.1016   -3.3525   -3.3027 N   0  0  0  0  0
    5.5032   -4.1493   -5.7025 O   0  0  0  0  0
    3.1381   -4.5638   -7.2772 H   0  0  0  0  0
    4.2380   -3.5691   -8.2463 H   0  0  0  0  0
    2.7189   -2.8829   -7.6436 H   0  0  0  0  0
    3.0075   -4.3524   -4.4842 H   0  0  0  0  0
    2.3077   -2.7856   -4.8324 H   0  0  0  0  0
    2.8122   -2.7597   -2.5339 H   0  0  0  0  0
    3.9371   -1.6677   -3.3248 H   0  0  0  0  0
    5.0307   -2.9555   -1.5460 H   0  0  0  0  0
    5.2606   -6.5746   -1.8550 H   0  0  0  0  0
    6.3872   -2.3666   -3.3313 H   0  0  0  0  0
    6.8295   -3.8317   -2.7569 H   0  0  0  0  0
    5.9997   -3.9692   -4.8607 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2 11  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  5 18  1  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  6 19  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 20  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 11 23  1  0  0  0
M  END

>  <Chemical Name>
L-PHOSPHINOTHRICIN

>  <PubChem CID>
91619

>  <Formula>
C5H12NO4P

>  <Molecular Weight>
181.128000

>  <IUPAC Name>
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid

>  <XlogP>
-5.000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CP(=O)(CCC(C(=O)O)N)O

>  <Isomeric SMILES>
CP(=O)(CC[C@@H](C(=O)O)N)O

>  <InChI Std. ID>
InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1

>  <InChI Key>
IAJOBQBIJHVGMQ-BYPYZUCNSA-N

