| Properties | Image |
|---|
| MNX_ID | MNXM981109 |
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| reference | slm:000673494 |
| formula | C44H81NO9P |
| global charge | -1 |
| mol weight | 799.104 |
| InChIKey | SAMNEOVQKSIEJC-DZCVSHKRSA-M |
| InChI | InChI=1S/C44H82NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)45-37-38-52-55(49,50)53-40-41(54-43(47)6-3)39-51-44(48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h15,17,20,22,41H,4-14,16,18-19,21,23-40H2,1-3H3,(H,45,46)(H,49,50)/p-1/b17-15-,22-20-/t41-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C44H82NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)45-37-38-52-55(49,50)53-40-41(54-43(47)6-3)39-51-44(48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h15,17,20,22,41H,4-14,16,18-19,21,23-40H2,1-3H3,(H,45,46)(H,49,50)/b17-15-,22-20-/t41-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]\[CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[N:45][CH2:37][CH2:38][O:52][P:55]([OH:49])(=[O:50])[O:53][CH2:40][C@@H:41]([CH2:39][O:51][C:44]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:22]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])=[O:48])[O:54][C:43]([CH2:6][CH3:3])=[O:47])[OH:46] |
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