| Properties | Image |
|---|
| MNX_ID | MNXM1106543 |
 |
| reference | hmdb:HMDB0057991 |
| formula | C81H146O17P2 |
| global charge | 0 |
| mol weight | 1453.99 |
| InChIKey | XJRSYDYSOAUFKR-WIKKRYGOSA-N |
| InChI | InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,23,25-28,30,32-33,35,37,39,75-77,82H,5-20,22,24,29,31,34,36,38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,27-23-,30-26-,32-28-,37-33-,39-35-/t75-,76-,77-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,23,25-28,30,32-33,35,37,39,75-77,82H,5-20,22,24,29,31,34,36,38,40-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,27-23-,30-26-,32-28-,37-33-,39-35-/t75-,76-,77-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][CH2:65][C:78](=[O:83])[O:91][CH2:71][C@H:76]([CH2:73][O:95][P:99]([OH:87])(=[O:88])[O:93][CH2:69][C@H:75]([CH2:70][O:94][P:100]([OH:89])(=[O:90])[O:96][CH2:74][C@@H:77]([CH2:72][O:92][C:79]([CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:84])[O:98][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:86])[OH:82])[O:97][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:85] |
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