| Properties | Image |
|---|
| MNX_ID | MNXM154796 |
 |
| reference | lipidmapsM:LMGP12011289 |
| formula | C87H150O17P2 |
| global charge | 0 |
| mol weight | 1530.088 |
| InChIKey | YEHKXAPPYKOXPU-HOXWWOBISA-N |
| InChI | InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21,23-25,27-28,33,35-37,39,43-44,46,48,50,56,58,60,62,81-83,88H,5-20,22,26,29-32,34,38,40-42,45,47,49,51-55,57,59,61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,27-23-,28-24-,37-33-,39-35-,43-36-,48-44-,50-46-,60-56-,62-58-/t81-,82+,83+/m0/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)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C87H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h21,23-25,27-28,33,35-37,39,43-44,46,48,50,56,58,60,62,81-83,88H,5-20,22,26,29-32,34,38,40-42,45,47,49,51-55,57,59,61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,27-23-,28-24-,37-33-,39-35-,43-36-,48-44-,50-46-,60-56-,62-58-/t81-,82+,83+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:40]/[CH:44]=[CH:48]\[CH2:52]/[CH:56]=[CH:60]\[CH2:64][CH2:68][CH2:72][C:85](=[O:90])[O:98][CH2:78][C@H:83]([CH2:80][O:102][P:106]([OH:95])(=[O:96])[O:100][CH2:76][C@H:81]([CH2:75][O:99][P:105]([OH:93])(=[O:94])[O:101][CH2:79][C@@H:82]([CH2:77][O:97][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47]/[CH:43]=[CH:36]\[CH2:32]/[CH:28]=[CH:24]\[CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:89])[O:103][C:86]([CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:38][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:91])[OH:88])[O:104][C:87]([CH2:74][CH2:70][CH2:66]/[CH:62]=[CH:58]\[CH2:54]/[CH:50]=[CH:46]\[CH2:42]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:92] |
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