| Properties | Image |
|---|
| MNX_ID | MNXM218305 |
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| reference | slm:000037843 |
| formula | C46H84O10P |
| global charge | -1 |
| mol weight | 828.142 |
| InChIKey | BTDMHBIUWAYJSG-QJNHDIKQSA-M |
| InChI | InChI=1S/C46H85O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-45(49)53-41-44(42-55-57(51,52)54-40-43(48)39-47)56-46(50)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,43-44,47-48H,3-10,12,15,18,20-42H2,1-2H3,(H,51,52)/p-1/b13-11-,16-14+,19-17-/t43-,44+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H85O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-45(49)53-41-44(42-55-57(51,52)54-40-43(48)39-47)56-46(50)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,43-44,47-48H,3-10,12,15,18,20-42H2,1-2H3,(H,51,52)/b13-11-,16-14+,19-17-/t43-,44+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:45](=[O:49])[O:53][CH2:41][C@H:44]([CH2:42][O:55][P:57]([OH:51])(=[O:52])[O:54][CH2:40][C@H:43]([CH2:39][OH:47])[OH:48])[O:56][C:46]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50] |
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