124992 -OEChem-10051719463D 31 30 0 1 0 0 0 0 0999 V2000 4.2099 0.4431 -0.0241 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.0135 -0.7392 -0.6198 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8468 -0.7455 1.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6015 1.7385 0.7146 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0561 1.0570 -1.2493 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8809 0.6273 1.1841 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9284 -0.5299 0.8456 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6064 -1.2774 -0.5862 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8019 2.0341 0.1507 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6076 -0.7936 0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1537 -0.1244 -0.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5377 -1.8382 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2753 0.8957 -0.6358 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7661 -0.2505 -0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7116 -0.7741 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 0.2769 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4207 -1.2857 0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.0362 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 0.3761 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5268 -0.9067 -1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -2.3137 1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 -2.6200 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 1.2810 -1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 -1.2500 -1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -1.0718 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3153 0.5208 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9838 2.4435 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4928 1.7254 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7757 -1.1388 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1902 2.2917 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9219 1.4804 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 2 29 1 0 0 0 0 3 15 2 0 0 0 0 4 30 1 0 0 0 0 5 31 1 0 0 0 0 6 16 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 9 13 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > DB02011 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FCIHAQFHXJOLIF-YFKPBYRVSA-N/SDF?record_type=3d > N[C@@H](CCCNC(=O)CP(O)(O)=O)C(O)=O > InChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/t5-/m0/s1 > FCIHAQFHXJOLIF-YFKPBYRVSA-N > C7H15N2O6P > 254.1776 > 254.066772734 > 7 > 31 > -1.1302851100219087 > 22.613343271430388 > 1 > 5 > 0 > 0 > (2S)-2-amino-5-(2-phosphonoacetamido)pentanoic acid > -2.45 > -4.251105610184412 > -1.64 > 0 > -1 > 0 > -1 > 2.303405671892135 > 1.48021912817692 > 9.278727454152937 > 149.95 > 53.6426 > 7 > 1 > 5.85e+00 g/l > biotin > 0 $$$$