| Properties | Image |
|---|
| MNX_ID | MNXM952893 |
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| reference | slm:000645278 |
| formula | C47H87NO9P |
| global charge | -1 |
| mol weight | 841.185 |
| InChIKey | BHFDJMHETRWIKW-SCABDWIFSA-M |
| InChI | InChI=1S/C47H88NO9P/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-39-46(50)54-42-44(57-47(51)37-6-3)43-56-58(52,53)55-41-40-48-45(49)38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h13,15,19,21,44H,4-12,14,16-18,20,22-43H2,1-3H3,(H,48,49)(H,52,53)/p-1/b15-13-,21-19-/t44-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C47H88NO9P/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-39-46(50)54-42-44(57-47(51)37-6-3)43-56-58(52,53)55-41-40-48-45(49)38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h13,15,19,21,44H,4-12,14,16-18,20,22-43H2,1-3H3,(H,48,49)(H,52,53)/b15-13-,21-19-/t44-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:39][C:46](=[O:50])[O:54][CH2:42][C@H:44]([CH2:43][O:56][P:58]([OH:52])(=[O:53])[O:55][CH2:41][CH2:40][N:48]=[C:45]([CH2:38][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])[OH:49])[O:57][C:47]([CH2:37][CH2:6][CH3:3])=[O:51] |
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