| Properties | Image |
|---|
| MNX_ID | MNXM215784 |
 |
| reference | slm:000452801 |
| formula | C65H105O16P2 |
| global charge | -3 |
| mol weight | 1204.487 |
| InChIKey | XBWQJRVBUMEVLJ-KUWQOUKKSA-K |
| InChI | InChI=1S/C65H108O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-58(66)77-55-57(56-78-83(75,76)81-65-62(70)60(68)61(69)64(63(65)71)80-82(72,73)74)79-59(67)54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,36,38,57,60-65,68-71H,3-4,6,8-10,15-16,21-22,27-28,33-35,37,39-56H2,1-2H3,(H,75,76)(H2,72,73,74)/p-3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t57-,60+,61+,62-,63-,64-,65+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H108O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-58(66)77-55-57(56-78-83(75,76)81-65-62(70)60(68)61(69)64(63(65)71)80-82(72,73)74)79-59(67)54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,36,38,57,60-65,68-71H,3-4,6,8-10,15-16,21-22,27-28,33-35,37,39-56H2,1-2H3,(H,75,76)(H2,72,73,74)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t57-,60+,61+,62-,63-,64-,65+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:58](=[O:66])[O:77][CH2:55][C@H:57]([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])[O:79][C:59]([CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:67] |
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