| Properties | Image |
|---|
| MNX_ID | MNXM175117 |
 |
| reference | slm:000475570 |
| formula | C66H113O13P2 |
| global charge | -3 |
| mol weight | 1176.565 |
| InChIKey | AXVORCVJYHUCFA-FEQLPJKUSA-K |
| InChI | InChI=1S/C66H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-65(68)75-61-64(62-78-81(73,74)77-60-63(67)59-76-80(70,71)72)79-66(69)58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,63-64,67H,3-10,15-16,21-22,27-28,33-62H2,1-2H3,(H,73,74)(H2,70,71,72)/p-3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t63-,64+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-65(68)75-61-64(62-78-81(73,74)77-60-63(67)59-76-80(70,71)72)79-66(69)58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,63-64,67H,3-10,15-16,21-22,27-28,33-62H2,1-2H3,(H,73,74)(H2,70,71,72)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t63-,64+/m0/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]\[CH2:27]/[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][CH2:55][CH2:57][C:65](=[O:68])[O:75][CH2:61][C@H:64]([CH2:62][O:78][P:81]([OH:73])(=[O:74])[O:77][CH2:60][C@H:63]([CH2:59][O:76][P:80]([OH:70])([OH:71])=[O:72])[OH:67])[O:79][C:66]([CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][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:69] |
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