| Properties | Image |
MNX_ID | MNXM24542 |
 |
reference | lipidmapsM:LMFA08020046 |
formula | C27H47NO |
global charge | 0 |
mol weight | 401.679 |
InChIKey | IRYRMYBLFNDWKY-GWEUNTIUSA-N |
InChI | InChI=1S/C27H47NO/c1-5-7-8-20-23-27(3,4)24-21-18-16-14-12-10-9-11-13-15-17-19-22-26(29)28-25-6-2/h9-10,13-16,21,24H,5-8,11-12,17-20,22-23,25H2,1-4H3,(H,28,29)/b10-9-,15-13-,16-14-,24-21- |
SMILES | CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC |
MNX internals
InChI (mnx) | InChI=1/C27H47NO/c1-5-7-8-20-23-27(3,4)24-21-18-16-14-12-10-9-11-13-15-17-19-22-26(29)28-25-6-2/h9-10,13-16,21,24H,5-8,11-12,17-20,22-23,25H2,1-4H3,(H,28,29)/b10-9-,15-13-,16-14-,24-21- |
 |
SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:8][CH2:20][CH2:23][C:27]([CH3:3])([CH3:4])/[CH:24]=[CH:21]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17][CH2:19][CH2:22][C:26](=[N:28][CH2:25][CH2:6][CH3:2])[OH:29] |
|