| Properties | Image |
|---|
| MNX_ID | MNXM150124 |
 |
| reference | lipidmapsM:LMSP02040003 |
| formula | C50H97NO4 |
| global charge | 0 |
| mol weight | 776.329 |
| InChIKey | BRICAYBHSAQLME-ADZUIXFGSA-N |
| InChI | InChI=1S/C50H97NO4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-48(52)47(51-49(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)46-55-50(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h40,43,47-48,52H,4-39,41-42,44-46H2,1-3H3,(H,51,53)/b43-40+/t47-,48+/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)CCCCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H97NO4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-48(52)47(51-49(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)46-55-50(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h40,43,47-48,52H,4-39,41-42,44-46H2,1-3H3,(H,51,53)/b43-40+/t47-,48+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37]/[CH:40]=[CH:43]/[C@H:48]([C@H:47]([CH2:46][O:55][C:50]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54])[N:51]=[C:49]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:53])[OH:52] |
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