PDB CCD ID: | SXM | ||||||||||||
Number of entries in BioLiP: | 4 | ||||||||||||
Chemical formula: | C14 H25 N2 O10 P S | ||||||||||||
InChI: | InChI=1S/C14H25N2O10PS/c1-14(2,8-26-27(23,24)25)12(21)13(22)16-4-3-9(17)15-5-6-28-11(20)7-10(18)19/h12,21H,3-8H2,1-2H3,(H,15,17)(H,16,22)(H,18,19)(H2,23,24,25)/t12-/m1/s1 | ||||||||||||
InChIKey: | RNFWAFOKCVKQGB-GFCCVEGCSA-N | ||||||||||||
SMILES: |
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Name: | 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid; THIOMALONIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER | ||||||||||||
ZINC: | ZINC000058660925 |