| Properties | Image |
|---|
| MNX_ID | MNXM899333 |
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| reference | slm:000591146 |
| formula | C63H106O16P2 |
| global charge | -2 |
| mol weight | 1181.473 |
| InChIKey | SAMOILCDGDIZTO-XTXPHIHKSA-L |
| InChI | InChI=1S/C63H108O16P2/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-63(68)79-60(56-74-62(67)50-47-44-41-38-34-31-24-21-18-15-12-9-6-3)57-78-81(71,72)77-55-59(65)54-76-80(69,70)75-53-58(64)52-73-61(66)49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11-12,15-17,19-21,24-27,29-30,33,58-60,64-65H,4-7,9-10,13-14,18,22-23,28,31-32,34-57H2,1-3H3,(H,69,70)(H,71,72)/p-2/b11-8-,15-12-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-/t58-,59?,60-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H108O16P2/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-63(68)79-60(56-74-62(67)50-47-44-41-38-34-31-24-21-18-15-12-9-6-3)57-78-81(71,72)77-55-59(65)54-76-80(69,70)75-53-58(64)52-73-61(66)49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11-12,15-17,19-21,24-27,29-30,33,58-60,64-65H,4-7,9-10,13-14,18,22-23,28,31-32,34-57H2,1-3H3,(H,69,70)(H,71,72)/b11-8-,15-12-,19-16-,20-17-,24-21-,27-25-,29-26-,33-30-/t58-,59?,60-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:30]=[CH:33]\[CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:63](=[O:68])[O:79][C@H:60]([CH2:56][O:74][C:62]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:34][CH2:31]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:67])[CH2:57][O:78][P:81]([OH:71])(=[O:72])[O:77][CH2:55][CH:59]([CH2:54][O:76][P:80]([OH:69])(=[O:70])[O:75][CH2:53][C@@H:58]([CH2:52][O:73][C:61]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:66])[OH:64])[OH:65] |
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