| Properties | Image |
|---|
| MNX_ID | MNXM1539896 |
 |
| reference | hmdb:HMDB0286650 |
| formula | C46H80NO12P |
| global charge | 0 |
| mol weight | 870.115 |
| InChIKey | SAMUZOOQZPCNNV-AGWADRQISA-N |
| InChI | InChI=1S/C46H80NO12P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-28-45(52)56-36-40(37-58-60(54,55)57-33-32-47(3,4)5)59-46(53)29-25-24-27-39(49)34-42-41(43(50)35-44(42)51)31-30-38(48)26-22-9-7-2/h12-13,15-16,18-19,30-31,38,40-44,48,50-51H,6-11,14,17,20-29,32-37H2,1-5H3/b13-12-,16-15-,19-18-,31-30+/t38-,40+,41+,42+,43+,44-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC(=O)C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C46H80NO12P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-28-45(52)56-36-40(37-58-60(54,55)57-33-32-47(3,4)5)59-46(53)29-25-24-27-39(49)34-42-41(43(50)35-44(42)51)31-30-38(48)26-22-9-7-2/h12-13,15-16,18-19,30-31,38,40-44,48,50-51H,6-11,14,17,20-29,32-37H2,1-5H3/b13-12-,16-15-,19-18-,31-30+/t38-,40+,41+,42+,43+,44-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:23][CH2:28][C:45](=[O:52])[O:56][CH2:36][C@H:40]([CH2:37][O:58][P:60](=[O:54])([O-:55])[O:57][CH2:33][CH2:32][N+:47]([CH3:3])([CH3:4])[CH3:5])[O:59][C:46]([CH2:29][CH2:25][CH2:24][CH2:27][C:39]([CH2:34][C@@H:42]1[C@@H:41](/[CH:31]=[CH:30]/[C@H:38]([CH2:26][CH2:22][CH2:9][CH2:7][CH3:2])[OH:48])[C@H:43]([OH:50])[CH2:35][C@@H:44]1[OH:51])=[O:49])=[O:53] |
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