| Properties | Image |
|---|
| MNX_ID | MNXM46108 |
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| reference | lipidmapsM:LMSP02010028 |
| formula | C39H75NO3 |
| global charge | 0 |
| mol weight | 606.033 |
| InChIKey | VIXPILYZZUPVAX-PQSYLBTKSA-N |
| InChI | InChI=1S/C39H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-39(43)40-37(36-41)38(42)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h8,10,32,34,37-38,41-42H,3-7,9,11-31,33,35-36H2,1-2H3,(H,40,43)/b10-8-,34-32+/t37-,38+/m0/s1 |
| SMILES | CCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C39H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-39(43)40-37(36-41)38(42)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h8,10,32,34,37-38,41-42H,3-7,9,11-31,33,35-36H2,1-2H3,(H,40,43)/b10-8-,34-32+/t37-,38+/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][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:39](=[N:40][C@@H:37]([CH2:36][OH:41])[C@@H:38](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:16][CH2:14][CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])[OH:42])[OH:43] |
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