Marvin 05171112402D 32 35 0 0 1 0 999 V2000 12.5274 -14.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5274 -15.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1999 -15.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3637 -16.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0694 -16.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3637 -13.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1999 -14.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3637 -17.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0694 -17.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1999 -18.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4942 -12.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0694 -14.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9057 -15.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9057 -18.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7752 -16.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7752 -17.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3304 -14.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4942 -16.8345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1999 -16.8345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5782 -18.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7924 -13.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5741 -14.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7925 -15.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2034 -12.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3135 -11.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5043 -12.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5148 -18.1393 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6686 -17.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8223 -18.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9760 -17.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1308 -18.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9701 -16.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 1 11 1 1 0 0 0 2 18 1 6 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 4 3 1 0 0 0 0 7 3 1 0 0 0 0 3 19 1 6 0 0 0 8 4 1 0 0 0 0 4 17 1 1 0 0 0 9 5 1 0 0 0 0 5 12 1 1 0 0 0 13 5 1 0 0 0 0 7 6 1 0 0 0 0 10 8 1 0 0 0 0 14 9 2 0 0 0 0 10 9 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 16 15 1 0 0 0 0 20 16 2 0 0 0 0 21 1 1 0 0 0 0 2 1 1 0 0 0 0 22 21 1 0 0 0 0 23 2 1 0 0 0 0 23 22 1 0 0 0 0 21 24 1 1 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 8 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 M END > CHEBI:62023 > 3-(progesterone-7alpha-yl)thiopropionic acid > A steroid acid consisting of progesterone having a 2-carboxyethylthio group at the 7α-position. > 3 > P4-7alpha-CET; 7alpha-CET-P4; 7alpha-(carboxyethylthio)progesterone; 7alpha-(carboxyethylthio)-P4; 7-(Carboxyethylthio)progesterone; 3-(pregn-4-ene-3,20-dione-7alpha-yl)thiopropanoic acid > 3-{[(7alpha)-3,20-dioxopregn-4-en-7-yl]sulfanyl}propanoic acid > C24H34O4S > 418.58900 > 418.21778 > 0 > [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCC(O)=O > InChI=1S/C24H34O4S/c1-14(25)17-4-5-18-22-19(7-10-24(17,18)3)23(2)9-6-16(26)12-15(23)13-20(22)29-11-8-21(27)28/h12,17-20,22H,4-11,13H2,1-3H3,(H,27,28)/t17-,18+,19+,20-,22+,23+,24-/m1/s1 > BOJZZBMFGDYFER-WTBIUSKOSA-N > 40845-01-0 > 7357523 > 40845-01-0 > 11996928; 18791859; 4675794 $$$$