| Properties | Image |
|---|
| MNX_ID | MNXM1028970 |
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| reference | slm:000721359 |
| formula | C48H93NO8P |
| global charge | -1 |
| mol weight | 843.245 |
| InChIKey | TXXPCNUFYOCLOC-VLUXHKQDSA-M |
| InChI | InChI=1S/C48H94NO8P/c1-5-7-9-11-13-15-16-17-18-23-27-31-35-39-48(51)57-46(43-54-41-36-32-28-24-20-19-22-25-29-33-37-45(3)4)44-56-58(52,53)55-42-40-49-47(50)38-34-30-26-21-14-12-10-8-6-2/h15-16,45-46H,5-14,17-44H2,1-4H3,(H,49,50)(H,52,53)/p-1/b16-15-/t46-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H94NO8P/c1-5-7-9-11-13-15-16-17-18-23-27-31-35-39-48(51)57-46(43-54-41-36-32-28-24-20-19-22-25-29-33-37-45(3)4)44-56-58(52,53)55-42-40-49-47(50)38-34-30-26-21-14-12-10-8-6-2/h15-16,45-46H,5-14,17-44H2,1-4H3,(H,49,50)(H,52,53)/b16-15-/t46-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:16]\[CH2:17][CH2:18][CH2:23][CH2:27][CH2:31][CH2:35][CH2:39][C:48](=[O:51])[O:57][C@H:46]([CH2:43][O:54][CH2:41][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:19][CH2:22][CH2:25][CH2:29][CH2:33][CH2:37][CH:45]([CH3:3])[CH3:4])[CH2:44][O:56][P:58]([OH:52])(=[O:53])[O:55][CH2:42][CH2:40][N:49]=[C:47]([CH2:38][CH2:34][CH2:30][CH2:26][CH2:21][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:50] |
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