| Properties | Image |
|---|
| MNX_ID | MNXM154732 |
 |
| reference | lipidmapsM:LMGP12011223 |
| formula | C87H158O17P2 |
| global charge | 0 |
| mol weight | 1538.152 |
| InChIKey | QAVCUBATBYRFIR-RHAYJRBLSA-N |
| InChI | InChI=1S/C87H158O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h21,24-25,28,33,36-37,43-44,47,55,59,81-83,88H,5-20,22-23,26-27,29-32,34-35,38-42,45-46,48-54,56-58,60-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,28-24-,37-33-,43-36-,47-44-,59-55-/t81-,82-,83-/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)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C87H158O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h21,24-25,28,33,36-37,43-44,47,55,59,81-83,88H,5-20,22-23,26-27,29-32,34-35,38-42,45-46,48-54,56-58,60-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,28-24-,37-33-,43-36-,47-44-,59-55-/t81-,82-,83-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:40]/[CH:44]=[CH:47]\[CH2:51]/[CH:55]=[CH:59]\[CH2:63][CH2:67][CH2:71][C:84](=[O:89])[O:97][CH2:77][C@H:82]([CH2:79][O:101][P:105]([OH:93])(=[O:94])[O:99][CH2:75][C@H:81]([CH2:76][O:100][P:106]([OH:95])(=[O:96])[O:102][CH2:80][C@@H:83]([CH2:78][O:98][C:85]([CH2:72][CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][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:90])[O:104][C:87]([CH2:74][CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:92])[OH:88])[O:103][C:86]([CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49]/[CH:43]=[CH:36]\[CH2:32]/[CH:28]=[CH:24]\[CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:91] |
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