| Properties | Image |
|---|
| MNX_ID | MNXM959933 |
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| reference | slm:000652318 |
| formula | C44H77NO9P |
| global charge | -1 |
| mol weight | 795.072 |
| InChIKey | XSVVQZIYTGYWOC-YXBWHWBMSA-M |
| InChI | InChI=1S/C44H78NO9P/c1-4-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-44(48)51-39-41(54-43(47)6-3)40-53-55(49,50)52-38-37-45-42(46)35-33-31-29-27-25-16-14-12-10-8-5-2/h13,15,18-19,21-22,24,26,41H,4-12,14,16-17,20,23,25,27-40H2,1-3H3,(H,45,46)(H,49,50)/p-1/b15-13-,19-18-,22-21-,26-24-/t41-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C44H78NO9P/c1-4-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-44(48)51-39-41(54-43(47)6-3)40-53-55(49,50)52-38-37-45-42(46)35-33-31-29-27-25-16-14-12-10-8-5-2/h13,15,18-19,21-22,24,26,41H,4-12,14,16-17,20,23,25,27-40H2,1-3H3,(H,45,46)(H,49,50)/b15-13-,19-18-,22-21-,26-24-/t41-/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:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:44](=[O:48])[O:51][CH2:39][C@H:41]([CH2:40][O:53][P:55]([OH:49])(=[O:50])[O:52][CH2:38][CH2:37][N:45]=[C:42]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])[OH:46])[O:54][C:43]([CH2:6][CH3:3])=[O:47] |
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