| Properties | Image |
|---|
| MNX_ID | MNXM388773 |
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| reference | slm:000052633 |
| formula | C67H122O12P |
| global charge | -1 |
| mol weight | 1150.675 |
| InChIKey | SAMJIKKNFNYARK-CUPXBZARSA-M |
| InChI | InChI=1S/C67H123O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-61(68)78-60(59-77-80(74,75)79-67-65(72)63(70)62(69)64(71)66(67)73)58-76-57-55-53-51-49-47-45-43-41-39-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,27-28,60,62-67,69-73H,3-10,12,14-16,21-22,24,26,29-59H2,1-2H3,(H,74,75)/p-1/b13-11-,19-17-,20-18-,25-23-,28-27-/t60-,62-,63-,64+,65-,66-,67-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C67H123O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-61(68)78-60(59-77-80(74,75)79-67-65(72)63(70)62(69)64(71)66(67)73)58-76-57-55-53-51-49-47-45-43-41-39-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,27-28,60,62-67,69-73H,3-10,12,14-16,21-22,24,26,29-59H2,1-2H3,(H,74,75)/b13-11-,19-17-,20-18-,25-23-,28-27-/t60-,62-,63-,64+,65-,66-,67-/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:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:61](=[O:68])[O:78][C@H:60]([CH2:58][O:76][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[CH2:59][O:77][P:80]([OH:74])(=[O:75])[O:79][C@@H:67]1[C@H:65]([OH:72])[C@H:63]([OH:70])[C@@H:62]([OH:69])[C@H:64]([OH:71])[C@H:66]1[OH:73] |
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