| Properties | Image |
|---|
| MNX_ID | MNXM216600 |
 |
| reference | slm:000002340 |
| formula | C50H85NO10P |
| global charge | -1 |
| mol weight | 891.201 |
| InChIKey | ILOHWEMECWUJKD-QDIGNJQGSA-M |
| InChI | InChI=1S/C50H86NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,23-24,46-47H,3-4,6,8-10,12,15,19,22,25-45,51H2,1-2H3,(H,54,55)(H,56,57)/p-1/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-/t46-,47+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H86NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,23-24,46-47H,3-4,6,8-10,12,15,19,22,25-45,51H2,1-2H3,(H,54,55)(H,56,57)/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-/t46-,47+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:48](=[O:52])[O:58][CH2:43][C@H:46]([CH2:44][O:59][P:62]([OH:56])(=[O:57])[O:60][CH2:45][C@@H:47]([C:50](=[O:54])[OH:55])[NH2:51])[O:61][C:49]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:53] |
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