Marvin 12060617052D 28 28 0 0 0 0 999 V2000 -1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9684 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 2.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2539 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4125 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 3 1 0 0 0 0 6 14 1 0 0 0 0 9 1 1 0 0 0 0 4 9 1 0 0 0 0 19 5 1 0 0 0 0 8 19 1 0 0 0 0 2 24 1 0 0 0 0 24 7 1 0 0 0 0 8 1 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 17 16 2 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 M END > CHEBI:37387 > H3HP-DO3A > A tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as a 2-hydroxypropyl group at position 10. > 3 > 10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid > 2,2',2''-[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetic acid > calteridol > C17H32N4O7 > 404.45874 > 404.22710 > 0 > CC(O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O > InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28) > IQUHNCOJRJBMSU-UHFFFAOYSA-N > 7605409 > 132722-73-7 > 664973 > 7605409 > 132722-73-7 $$$$