| Properties | Image |
|---|
| MNX_ID | MNXM211739 |
 |
| reference | slm:000015229 |
| formula | C61H108O13P |
| global charge | -1 |
| mol weight | 1080.496 |
| InChIKey | IIRIZLAVVMOKJC-MVVLVTGDSA-M |
| InChI | InChI=1S/C61H109O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-54(62)71-51-53(52-72-75(69,70)74-61-59(67)57(65)56(64)58(66)60(61)68)73-55(63)50-48-46-44-42-40-38-36-34-31-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,29-30,53,56-61,64-68H,3-10,12,14-16,18,20-22,25,28,31-52H2,1-2H3,(H,69,70)/p-1/b13-11-,19-17-,24-23-,27-26-,30-29-/t53-,56-,57-,58+,59-,60-,61-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H109O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-54(62)71-51-53(52-72-75(69,70)74-61-59(67)57(65)56(64)58(66)60(61)68)73-55(63)50-48-46-44-42-40-38-36-34-31-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,29-30,53,56-61,64-68H,3-10,12,14-16,18,20-22,25,28,31-52H2,1-2H3,(H,69,70)/b13-11-,19-17-,24-23-,27-26-,30-29-/t53-,56-,57-,58+,59-,60-,61-/m1/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]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:54](=[O:62])[O:71][CH2:51][C@H:53]([CH2:52][O:72][P:75]([OH:69])(=[O:70])[O:74][C@@H:61]1[C@H:59]([OH:67])[C@H:57]([OH:65])[C@@H:56]([OH:64])[C@H:58]([OH:66])[C@H:60]1[OH:68])[O:73][C:55]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:31][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:63] |
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