| Properties | Image |
|---|
| MNX_ID | MNXM190943 |
 |
| reference | slm:000471163 |
| formula | C48H81O13P2 |
| global charge | -3 |
| mol weight | 928.111 |
| InChIKey | WJIBWTBNVAWXME-QMHYJGQNSA-K |
| InChI | InChI=1S/C48H84O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-48(51)61-46(44-60-63(55,56)59-42-45(49)41-58-62(52,53)54)43-57-47(50)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,24,26,30,32,45-46,49H,3-10,12,15,18,20,23,25,27-29,31,33-44H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3/b13-11-,16-14+,19-17-,22-21-,26-24-,32-30-/t45-,46+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C48H84O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-48(51)61-46(44-60-63(55,56)59-42-45(49)41-58-62(52,53)54)43-57-47(50)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,24,26,30,32,45-46,49H,3-10,12,15,18,20,23,25,27-29,31,33-44H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,16-14+,19-17-,22-21-,26-24-,32-30-/t45-,46+/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]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34][CH2:36][CH2:38][CH2:40][C:48](=[O:51])[O:61][C@H:46]([CH2:43][O:57][C:47]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50])[CH2:44][O:60][P:63]([OH:55])(=[O:56])[O:59][CH2:42][C@H:45]([CH2:41][O:58][P:62]([OH:52])([OH:53])=[O:54])[OH:49] |
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