| Properties | Image |
|---|
| MNX_ID | MNXM231309 |
 |
| reference | slm:000015815 |
| formula | C67H112O13P |
| global charge | -1 |
| mol weight | 1156.594 |
| InChIKey | RZDDIRNCJKEVDD-NGRVMUHCSA-M |
| InChI | InChI=1S/C67H113O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-33-35-37-39-41-43-45-47-49-51-53-55-60(68)77-57-59(58-78-81(75,76)80-67-65(73)63(71)62(70)64(72)66(67)74)79-61(69)56-54-52-50-48-46-44-42-40-38-36-34-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,34,59,62-67,70-74H,3-4,6,8-10,15-16,21-22,27-28,32-33,35-58H2,1-2H3,(H,75,76)/p-1/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,34-31-/t59-,62-,63-,64+,65-,66-,67-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H113O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-33-35-37-39-41-43-45-47-49-51-53-55-60(68)77-57-59(58-78-81(75,76)80-67-65(73)63(71)62(70)64(72)66(67)74)79-61(69)56-54-52-50-48-46-44-42-40-38-36-34-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,34,59,62-67,70-74H,3-4,6,8-10,15-16,21-22,27-28,32-33,35-58H2,1-2H3,(H,75,76)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,34-31-/t59-,62-,63-,64+,65-,66-,67-/m1/s1 |
 |
| 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:30]\[CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:60](=[O:68])[O:77][CH2:57][C@H:59]([CH2:58][O:78][P:81]([OH:75])(=[O:76])[O:80][C@@H:67]1[C@H:65]([OH:73])[C@H:63]([OH:71])[C@@H:62]([OH:70])[C@H:64]([OH:72])[C@H:66]1[OH:74])[O:79][C:61]([CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:31]\[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:69] |
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