| Properties | Image |
|---|
| MNX_ID | MNXM958613 |
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| reference | slm:000650998 |
| formula | C48H87NO9P |
| global charge | -1 |
| mol weight | 853.196 |
| InChIKey | RZPGBGXSWWEHOQ-AQZALLITSA-M |
| InChI | InChI=1S/C48H88NO9P/c1-4-7-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-36-39-47(51)55-43-45(44-57-59(53,54)56-42-41-49-46(50)38-35-9-6-3)58-48(52)40-37-34-32-30-27-19-17-15-13-11-8-5-2/h14,16,20-21,23-24,45H,4-13,15,17-19,22,25-44H2,1-3H3,(H,49,50)(H,53,54)/p-1/b16-14-,21-20-,24-23-/t45-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H88NO9P/c1-4-7-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-36-39-47(51)55-43-45(44-57-59(53,54)56-42-41-49-46(50)38-35-9-6-3)58-48(52)40-37-34-32-30-27-19-17-15-13-11-8-5-2/h14,16,20-21,23-24,45H,4-13,15,17-19,22,25-44H2,1-3H3,(H,49,50)(H,53,54)/b16-14-,21-20-,24-23-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:28][CH2:29][CH2:31][CH2:33][CH2:36][CH2:39][C:47](=[O:51])[O:55][CH2:43][C@H:45]([CH2:44][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:42][CH2:41][N:49]=[C:46]([CH2:38][CH2:35][CH2:9][CH2:6][CH3:3])[OH:50])[O:58][C:48]([CH2:40][CH2:37][CH2:34][CH2:32][CH2:30][CH2:27][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:52] |
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