| Properties | Image |
|---|
| MNX_ID | MNXM1131502 |
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| reference | lipidmapsM:LMSP02020058 |
| formula | C50H101NO3 |
| global charge | 0 |
| mol weight | 764.362 |
| InChIKey | ROUHJBDAUYRWPV-NXWRKTHKSA-N |
| InChI | InChI=1S/C50H101NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-50(54)51-48(47-52)49(53)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h48-49,52-53H,3-47H2,1-2H3,(H,51,54)/t48-,49+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H101NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-50(54)51-48(47-52)49(53)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h48-49,52-53H,3-47H2,1-2H3,(H,51,54)/t48-,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][CH2:46][C:50](=[N:51][C@@H:48]([CH2:47][OH:52])[C@@H:49]([CH2:45][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:53])[OH:54] |
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