| Properties | Image |
|---|
| MNX_ID | MNXM1105725 |
 |
| reference | lipidmapsM:LMGP12010687 |
| formula | C81H144O17P2 |
| global charge | 0 |
| mol weight | 1451.974 |
| InChIKey | UGSIOCDFHZJOPS-WUJKCQROSA-N |
| InChI | InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,38-40,43,50,54,75-77,82H,5-20,23-24,27-32,37,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,36-33-,38-34-,39-35-,43-40-,54-50-/t75-,76-,77-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-36,38-40,43,50,54,75-77,82H,5-20,23-24,27-32,37,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,36-33-,38-34-,39-35-,43-40-,54-50-/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:36]\[CH2:37]/[CH:40]=[CH:43]\[CH2:46]/[CH:50]=[CH:54]\[CH2:58][CH2:62][CH2:66][C:79](=[O:84])[O:92][CH2:72][C@H:77]([CH2:74][O:96][P:100]([OH:89])(=[O:90])[O:94][CH2:70][C@@H:75]([CH2:69][O:93][P:99]([OH:87])(=[O:88])[O:95][CH2:73][C@@H:76]([CH2:71][O:91][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:42]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:83])[O:97][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:41][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:85])[OH:82])[O:98][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44]/[CH:39]=[CH:35]\[CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:86] |
|