| Properties | Image |
|---|
| MNX_ID | MNXM154588 |
 |
| reference | lipidmapsM:LMGP12011075 |
| formula | C85H158O17P2 |
| global charge | 0 |
| mol weight | 1514.13 |
| InChIKey | MXQJNPUXPSTWHV-KCKPFVENSA-N |
| InChI | InChI=1S/C85H158O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-44-41-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-47-43-40-37-34-30-26-22-18-14-10-6-2/h23,27,35,38,44,48,56,60,79-81,86H,5-22,24-26,28-34,36-37,39-43,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b27-23-,38-35-,48-44-,60-56-/t79-,80+,81+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H158O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-44-41-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-47-43-40-37-34-30-26-22-18-14-10-6-2/h23,27,35,38,44,48,56,60,79-81,86H,5-22,24-26,28-34,36-37,39-43,45-47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b27-23-,38-35-,48-44-,60-56-/t79-,80+,81+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:36][CH2:39][CH2:42][CH2:46][CH2:49][CH2:53][CH2:57][CH2:61][CH2:65][CH2:69][C:82](=[O:87])[O:95][CH2:75][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]([CH2:76][O:96][C:83]([CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:47][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:88])[O:102][C:85]([CH2:72][CH2:68][CH2:64]/[CH:60]=[CH:56]\[CH2:52]/[CH:48]=[CH:44]\[CH2:41]/[CH:38]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:90])[OH:86])[O:101][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:45][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:89] |
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