| Properties | Image |
|---|
| MNX_ID | MNXM154340 |
 |
| reference | lipidmapsM:LMGP12010826 |
| formula | C85H158O17P2 |
| global charge | 0 |
| mol weight | 1514.13 |
| InChIKey | HUNNAZSBAZJWFI-PVLJJBDOSA-N |
| InChI | InChI=1S/C85H158O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h23-24,27-28,35-36,41-42,79-81,86H,5-22,25-26,29-34,37-40,43-78H2,1-4H3,(H,91,92)(H,93,94)/b27-23-,28-24-,41-35-,42-36-/t79-,80+,81+/m0/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)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H158O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h23-24,27-28,35-36,41-42,79-81,86H,5-22,25-26,29-34,37-40,43-78H2,1-4H3,(H,91,92)(H,93,94)/b27-23-,28-24-,41-35-,42-36-/t79-,80+,81+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:37][CH2:39][CH2:43][CH2:46][CH2:50][CH2:54][CH2:58][CH2:62][CH2:66][CH2:70][C:83](=[O:88])[O:96][CH2:76][C@H:80]([CH2:77][O:99][P:103]([OH:91])(=[O:92])[O:97][CH2:73][C@@H:79]([CH2:74][O:98][P:104]([OH:93])(=[O:94])[O:100][CH2:78][C@@H:81]([CH2:75][O:95][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45]/[CH:41]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:87])[O:102][C:85]([CH2:72][CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:38][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:90])[OH:86])[O:101][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47]/[CH:42]=[CH:36]\[CH2:32]/[CH:28]=[CH:24]\[CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:89] |
|