ChEBI Marvin 05041112072D 59 62 0 0 1 0 999 V2000 43.8314 -4.4113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 43.1640 -3.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5765 -5.1959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 42.4965 -4.4113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 42.7515 -5.1959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 44.0614 -5.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.0857 -8.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8285 -8.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3712 -8.8648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.6568 -8.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9423 -8.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3996 -7.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6568 -7.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3996 -6.3898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.9707 -6.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.6851 -5.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1141 -5.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9871 -4.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3996 -4.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8121 -4.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6851 -5.1522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.9706 -4.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8285 -4.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.4785 -4.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1285 -4.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6535 -3.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6535 -5.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.3035 -3.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.3035 -5.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6535 -4.7397 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 40.3035 -4.7397 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 41.7119 -4.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2665 -5.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4415 -6.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.0915 -6.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2665 -6.6884 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 42.2665 -7.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.6160 -4.1564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 45.2292 -4.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9516 -3.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.9436 -4.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2292 -5.5334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 45.7721 -3.4889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 46.6581 -4.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.9437 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.6581 -5.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 47.3725 -4.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.5430 -8.4523 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 39.2574 -9.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.2574 -8.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6864 -8.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5114 -8.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7489 -8.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9239 -8.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9239 -9.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7489 -9.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1614 -8.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9719 -8.4523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 39.9719 -7.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 3 6 1 6 0 0 0 4 32 1 1 0 0 0 5 4 1 0 0 0 0 5 33 1 6 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 10 9 1 0 0 0 0 13 10 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 19 17 1 0 0 0 0 17 23 1 0 0 0 0 19 18 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 6 0 0 0 23 30 1 0 0 0 0 30 24 1 0 0 0 0 24 31 1 0 0 0 0 31 25 1 0 0 0 0 32 25 1 0 0 0 0 30 26 2 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 31 29 1 0 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 36 37 2 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 2 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 44 41 1 0 0 0 0 43 41 1 0 0 0 0 45 42 2 0 0 0 0 46 44 2 0 0 0 0 47 44 1 0 0 0 0 46 45 1 0 0 0 0 48 50 1 0 0 0 0 50 49 2 0 0 0 0 50 58 1 0 0 0 0 58 51 1 0 0 0 0 51 52 1 0 0 0 0 54 52 2 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 53 57 2 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 58 59 1 6 0 0 0 M END > CHEBI:11010 > (R)-phenyllactoyl-CoA > An acyl-CoA having (R)-phenyllactoyl as the S-acyl group. > 3 > (R)-phenyllactoyl-coenzyme A; (R)-3-phenyllactyl-coenzyme A; (R)-3-phenyllactyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2R)-2-hydroxy-3-phenylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C30H44N7O18P3S > 915.69300 > 915.16764 > 0 > CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H](O)Cc1ccccc1 > InChI=1S/C30H44N7O18P3S/c1-30(2,24(41)27(42)33-9-8-20(39)32-10-11-59-29(43)18(38)12-17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-23(54-56(44,45)46)22(40)28(53-19)37-16-36-21-25(31)34-15-35-26(21)37/h3-7,15-16,18-19,22-24,28,38,40-41H,8-14H2,1-2H3,(H,32,39)(H,33,42)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t18-,19-,22-,23-,24+,28-/m1/s1 > FKMUDVUPQINOSF-NHZRKUKBSA-N > C16257 $$$$