| Properties | Image |
|---|
| MNX_ID | MNXM200330 |
 |
| reference | slm:000452356 |
| formula | C65H113O16P2 |
| global charge | -3 |
| mol weight | 1212.551 |
| InChIKey | SHFMSXOERLKTEN-XPXKIVKXSA-K |
| InChI | InChI=1S/C65H116O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-59(67)79-57(56-78-83(75,76)81-65-62(70)60(68)61(69)64(63(65)71)80-82(72,73)74)55-77-58(66)53-51-49-47-45-43-41-39-37-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22-23,25-26,57,60-65,68-71H,3-10,15-16,21,24,27-56H2,1-2H3,(H,75,76)(H2,72,73,74)/p-3/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t57-,60+,61+,62-,63-,64-,65+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C65H116O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-59(67)79-57(56-78-83(75,76)81-65-62(70)60(68)61(69)64(63(65)71)80-82(72,73)74)55-77-58(66)53-51-49-47-45-43-41-39-37-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22-23,25-26,57,60-65,68-71H,3-10,15-16,21,24,27-56H2,1-2H3,(H,75,76)(H2,72,73,74)/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t57-,60+,61+,62-,63-,64-,65+/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:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:59](=[O:67])[O:79][C@H:57]([CH2:55][O:77][C:58]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:66])[CH2:56][O:78][P:83]([OH:75])(=[O:76])[O:81][C@H:65]1[C@H:62]([OH:70])[C@@H:60]([OH:68])[C@H:61]([OH:69])[C@@H:64]([O:80][P:82]([OH:72])([OH:73])=[O:74])[C@H:63]1[OH:71] |
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