| Properties | Image |
|---|
| MNX_ID | MNXM345186 |
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| reference | slm:000025685 |
| formula | C47H83O8P |
| global charge | -2 |
| mol weight | 807.147 |
| InChIKey | LQSHZWIKAJJYOX-QFPLKGEMSA-L |
| InChI | InChI=1S/C47H85O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-47(49)55-45(44-54-56(50,51)52)43-53-46(48)41-39-37-35-10-8-6-4-2/h11-12,14-15,17-18,20-21,45H,3-10,13,16,19,22-44H2,1-2H3,(H2,50,51,52)/p-2/b12-11-,15-14-,18-17-,21-20-/t45-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C47H85O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-47(49)55-45(44-54-56(50,51)52)43-53-46(48)41-39-37-35-10-8-6-4-2/h11-12,14-15,17-18,20-21,45H,3-10,13,16,19,22-44H2,1-2H3,(H2,50,51,52)/b12-11-,15-14-,18-17-,21-20-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:49])[O:55][C@H:45]([CH2:43][O:53][C:46]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48])[CH2:44][O:54][P:56]([OH:50])([OH:51])=[O:52] |
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