tumonoic acid C

Properties Image MNX_ID MNXM113782 reference chebi:69209 formula C27H45NO8 global charge 0 mol weight 511.656 InChIKey JMMSUMNUHPWPOM-ITIUQMENSA-N InChI InChI=1S/C27H45NO8/c1-7-8-9-10-11-12-14-18(4)22(29)19(5)24(30)28-16-13-15-21(28)26(33)36-23(17(2)3)27(34)35-20(6)25(31)32/h14,17,19-23,29H,7-13,15-16H2,1-6H3,(H,31,32)/b18-14+/t19-,20+,21+,22-,23-/m1/s1 SMILES CCCCCCC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)O)C(C)C MNX internals InChI (mnx) InChI=1/C27H45NO8/c1-7-8-9-10-11-12-14-18(4)22(29)19(5)24(30)28-16-13-15-21(28)26(33)36-23(17(2)3)27(34)35-20(6)25(31)32/h14,17,19-23,29H,7-13,15-16H2,1-6H3,(H,31,32)/b18-14+/t19-,20+,21+,22-,23-/m1/s1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]/[CH:14]=[C:18](\[CH3:4])[C@H:22]([C@@H:19]([CH3:5])[C:24]([N:28]1[CH2:16][CH2:13][CH2:15][C@H:21]1[C:26](=[O:33])[O:36][C@H:23]([CH:17]([CH3:2])[CH3:3])[C:27](=[O:34])[O:35][C@@H:20]([CH3:6])[C:25](=[O:31])[OH:32])=[O:30])[OH:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0