Marvin 11100617032D 15 15 0 0 0 0 999 V2000 -1.2962 1.1215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0809 0.0416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0809 1.3765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6288 1.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5658 0.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3908 0.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 0.2965 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5818 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 0.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5617 0.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2761 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 0.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 1.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7051 -0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 0 0 0 0 7 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 3 5 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M END > CHEBI:16691 > dethiobiotin > A hexanoic acid having a 5-methyl-2-oxoimidazolidin-4-yl group at the 6-position. > 3 > CHEBI:4457; CHEBI:14132; CHEBI:23649 > Dethiobiotin; Desthiobiotin > 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoic acid > C10H18N2O3 > 214.26160 > 214.13174 > 0 > CC1NC(=O)NC1CCCCCC(O)=O > InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15) > AUTOLBMXDDTRRT-UHFFFAOYSA-N > 177518 > 533-48-2 > 84958 > C01909 > C00000757 > 12730407; 21621502; 22326745 $$$$