| Properties | Image |
MNX_ID | MNXM104418 |
 |
reference | lipidmapsM:LMGL02010459 |
formula | C37H70O5 |
global charge | 0 |
mol weight | 594.962 |
InChIKey | XVGXJTLDXCVHHM-DMMVALDXSA-N |
InChI | InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h12,14,35,38H,3-11,13,15-34H2,1-2H3/b14-12-/t35-/m0/s1 |
SMILES | CCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C37H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h12,14,35,38H,3-11,13,15-34H2,1-2H3/b14-12-/t35-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:40])[O:42][C@@H:35]([CH2:33][OH:38])[CH2:34][O:41][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:39] |
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