ChEBI Marvin 09201215502D 69 72 0 0 1 0 999 V2000 7.7387 -13.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7387 -14.6732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0242 -13.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0242 -15.0857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3098 -13.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3098 -14.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4533 -15.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4533 -15.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7387 -16.3232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0243 -15.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3099 -16.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5955 -15.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8823 -15.0857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8823 -15.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1677 -14.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 -15.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 -15.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 -14.6732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5967 -16.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0258 -13.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0258 -14.6732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5968 -13.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4548 -13.8482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4548 -14.6732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7402 -13.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7402 -15.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0242 -17.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3099 -17.1481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0242 -18.3855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3097 -18.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5955 -17.5605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5954 -18.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7387 -18.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7387 -19.6230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0242 -20.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1677 -19.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4531 -20.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4531 -20.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0242 -20.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8813 -14.1509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8811 -17.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 -17.1482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8822 -17.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 -17.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 -18.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 -18.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0256 -18.7982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0256 -19.6232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3111 -20.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7402 -18.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7401 -20.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6891 -17.9216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1614 -21.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1614 -22.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7401 -20.8606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0020 -21.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 -20.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4546 -19.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8214 -22.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5364 -22.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4455 -22.1257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4593 -21.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0371 -15.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1692 -13.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1692 -15.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8837 -14.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7393 -15.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9741 -16.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8413 -22.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 2 7 1 1 0 0 0 4 2 1 0 0 0 0 6 4 1 0 0 0 0 10 4 1 0 0 0 0 12 11 2 0 0 0 0 15 13 1 0 0 0 0 7 15 1 0 0 0 0 8 7 2 0 0 0 0 19 17 2 0 0 0 0 13 18 1 0 0 0 0 14 13 1 0 0 0 0 16 21 1 0 0 0 0 18 16 1 0 0 0 0 18 22 1 6 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 21 20 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 28 11 1 0 0 0 0 29 27 1 6 0 0 0 28 27 1 6 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 32 31 1 0 0 0 0 29 33 1 0 0 0 0 30 29 1 0 0 0 0 37 36 1 0 0 0 0 34 33 1 0 0 0 0 38 37 2 0 0 0 0 34 37 1 0 0 0 0 34 35 1 1 0 0 0 39 35 1 0 0 0 0 13 40 1 1 0 0 0 31 41 1 1 0 0 0 42 19 1 0 0 0 0 14 19 1 0 0 0 0 45 44 2 0 0 0 0 42 44 1 0 0 0 0 42 43 1 1 0 0 0 48 47 1 0 0 0 0 45 47 1 0 0 0 0 46 45 1 0 0 0 0 47 50 1 1 0 0 0 48 51 1 0 0 0 0 29 52 1 1 0 0 0 53 38 1 0 0 0 0 54 53 2 0 0 0 0 55 51 1 0 0 0 0 56 55 1 0 0 0 0 48 49 1 6 0 0 0 57 49 1 0 0 0 0 58 51 2 0 0 0 0 59 54 1 0 0 0 0 60 59 2 0 0 0 0 61 60 1 0 0 0 0 56 61 1 0 0 0 0 55 62 1 6 0 0 0 21 63 1 1 0 0 0 23 64 1 1 0 0 0 24 65 1 6 0 0 0 66 65 1 0 0 0 0 2 67 1 6 0 0 0 28 68 1 1 0 0 0 61 69 1 6 0 0 0 M END > CHEBI:9168 > sirolimus > A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent. > 3 > CHEBI:45276; CHEBI:67812 > Sirolimus; rapamycin; Antibiotic AY 22989; (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone; (-)-Rapamycin > (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone > sirolimusum; sirolimus; sirolimus; sirolimus > Rapamune > C51H79NO13 > 914.17190 > 913.55514 > 0 > [H][C@]1(CC[C@@H](O)[C@@H](C1)OC)C[C@@H](C)[C@]1([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]2([H])CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@]2([H])C(=O)O1)OC > InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 > QFJCIRLUMZQUOT-HPLJOQBZSA-N > 53123-88-9 > 5848501 > 53123-88-9 > DB00877 > C07909 > D00753 > C00018055 > LMPK06000003 > RAP > Rapamycin > 19587680; 22960739; 22981852; 22984623; 24341993; 24409289 $$$$