(5R,6S,7S)-5,6-dihydroxy-8-(alpha-D-galactosyloxy)-7-hexacosanamido-N-(4-pentylphenyl)octanamide

Properties Image MNX_ID MNXM1128512 reference chebi:166882 formula C51H92N2O10 global charge 0 mol weight 893.301 InChIKey JRFCMCHAAQOEOJ-BULDXWSMSA-N InChI InChI=1S/C51H92N2O10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32-46(57)53-42(39-62-51-50(61)49(60)48(59)44(38-54)63-51)47(58)43(55)31-29-33-45(56)52-41-36-34-40(35-37-41)30-27-6-4-2/h34-37,42-44,47-51,54-55,58-61H,3-33,38-39H2,1-2H3,(H,52,56)(H,53,57)/t42-,43+,44+,47-,48-,49-,50+,51-/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NC1=CC=C(CCCCC)C=C1 MNX internals InChI (mnx) InChI=1/C51H92N2O10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32-46(57)53-42(39-62-51-50(61)49(60)48(59)44(38-54)63-51)47(58)43(55)31-29-33-45(56)52-41-36-34-40(35-37-41)30-27-6-4-2/h34-37,42-44,47-51,54-55,58-61H,3-33,38-39H2,1-2H3,(H,52,56)(H,53,57)/t42-,43+,44+,47-,48-,49-,50+,51-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:32][C:46](=[N:53][C@@H:42]([CH2:39][O:62][C@@H:51]1[C@H:50]([OH:61])[C@@H:49]([OH:60])[C@@H:48]([OH:59])[C@@H:44]([CH2:38][OH:54])[O:63]1)[C@@H:47]([C@@H:43]([CH2:31][CH2:29][CH2:33][C:45]([NH:52][C:41]1=[CH:37][CH:35]=[C:40]([CH2:30][CH2:27][CH2:6][CH2:4][CH3:2])[CH:34]=[CH:36]1)=[O:56])[OH:55])[OH:58])[OH:57]

Parent-child relations graph

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