(3-((3R,5R,7S,8E,10E,12E)-3-amino-5-hydroxy-7-methoxyoctadeca-8,10,12-trienamido)propanoyl)-D-asparagine

Properties Image MNX_ID MNXM1128611 reference chebi:167187 formula C26H44N4O7 global charge 0 mol weight 524.659 InChIKey LYKJNQRXIJUUCD-HRLSSFDZSA-N InChI InChI=1S/C26H44N4O7/c1-3-4-5-6-7-8-9-10-11-12-21(37-2)17-20(31)15-19(27)16-25(34)29-14-13-24(33)30-22(26(35)36)18-23(28)32/h7-12,19-22,31H,3-6,13-18,27H2,1-2H3,(H2,28,32)(H,29,34)(H,30,33)(H,35,36)/b8-7+,10-9+,12-11+/t19-,20-,21-,22-/m1/s1 SMILES CCCCC/C=C/C=C/C=C/[C@H](C[C@H](O)C[C@@H](N)CC(=O)NCCC(=O)N[C@H](CC(N)=O)C(=O)O)OC MNX internals InChI (mnx) InChI=1/C26H44N4O7/c1-3-4-5-6-7-8-9-10-11-12-21(37-2)17-20(31)15-19(27)16-25(34)29-14-13-24(33)30-22(26(35)36)18-23(28)32/h7-12,19-22,31H,3-6,13-18,27H2,1-2H3,(H2,28,32)(H,29,34)(H,30,33)(H,35,36)/b8-7+,10-9+,12-11+/t19-,20-,21-,22-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]/[CH:9]=[CH:10]/[CH:11]=[CH:12]/[C@H:21]([CH2:17][C@@H:20]([CH2:15][C@H:19]([CH2:16][C:25](=[N:29][CH2:14][CH2:13][C:24](=[N:30][C@H:22]([CH2:18][C:23](=[NH:28])[OH:32])[C:26](=[O:35])[OH:36])[OH:33])[OH:34])[NH2:27])[OH:31])[O:37][CH3:2]

Parent-child relations graph

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