Threonine
Thr
T
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SMILES
O[C@H](C)[C@](C(O)=O)([H])N
Canonical SMILES
CC(O)C(N)C(=O)O
InChI
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
AuxInfo=1/1/N:9,4,3,5,2,1,6,7/E:(7,8)/it:im/rA:9nONCCCOOHC/rB:;s2;n1s3;s3;s5;d5;N3;s4;/rC:-1.2742,.6251,0;-.7959,-.6212,0;-.1547,-.102,0;-.4504,.6251,0;.5598,-.5145,0;1.2742,-.102,0;.5598,-1.3395,0;.4287,.4814,0;-.0379,1.3395,0;
Structure files
MOL file
;
PDB file
MInChI v0.9
MInChIxe1 C4H9NO3 c1xh2xl6xr3x l5xr4xl7xr8x sh2xh3xc6Hxc 5H2xc1H3xcxl Hxc7xc8xrxst 2xhxc3xpxsm1 xss1
Updated:
9 June 2006
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