| Properties | Image |
|---|
| MNX_ID | MNXM359885 |
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| reference | slm:000041871 |
| formula | C45H82O10P |
| global charge | -1 |
| mol weight | 814.115 |
| InChIKey | BWUPJDPPHCOTCN-IAERCFIHSA-M |
| InChI | InChI=1S/C45H83O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-45(49)55-43(41-54-56(50,51)53-39-42(47)38-46)40-52-44(48)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,42-43,46-47H,3-10,12,14-16,18,20,23-41H2,1-2H3,(H,50,51)/p-1/b13-11-,19-17-,22-21-/t42-,43+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)CO |
MNX internals
| InChI (mnx) | InChI=1/C45H83O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-45(49)55-43(41-54-56(50,51)53-39-42(47)38-46)40-52-44(48)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,42-43,46-47H,3-10,12,14-16,18,20,23-41H2,1-2H3,(H,50,51)/b13-11-,19-17-,22-21-/t42-,43+/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]/[CH:21]=[CH:22]\[CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:45](=[O:49])[O:55][C@H:43]([CH2:40][O:52][C:44]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48])[CH2:41][O:54][P:56]([OH:50])(=[O:51])[O:53][CH2:39][C@H:42]([CH2:38][OH:46])[OH:47] |
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