| Properties | Image |
|---|
| MNX_ID | MNXM1131525 |
 |
| reference | lipidmapsM:LMSP02030062 |
| formula | C49H99NO4 |
| global charge | 0 |
| mol weight | 766.334 |
| InChIKey | QIUJEFANMZZFKS-JLPJUISDSA-N |
| InChI | InChI=1S/C49H99NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-48(53)50-46(45-51)49(54)47(52)43-41-39-37-35-33-16-14-12-10-8-6-4-2/h46-47,49,51-52,54H,3-45H2,1-2H3,(H,50,53)/t46-,47+,49-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H99NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-48(53)50-46(45-51)49(54)47(52)43-41-39-37-35-33-16-14-12-10-8-6-4-2/h46-47,49,51-52,54H,3-45H2,1-2H3,(H,50,53)/t46-,47+,49-/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][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:48](=[N:50][C@@H:46]([CH2:45][OH:51])[C@@H:49]([C@@H:47]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:52])[OH:54])[OH:53] |
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