| Properties | Image |
|---|
| MNX_ID | MNXM154377 |
 |
| reference | lipidmapsM:LMGP12010863 |
| formula | C87H158O17P2 |
| global charge | 0 |
| mol weight | 1538.152 |
| InChIKey | MHDBPDGHUKEQEI-HIVLFZDQSA-N |
| InChI | InChI=1S/C87H158O17P2/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/h22,24,26,28,34,36,38,43,45,49,57,61,81-83,88H,5-21,23,25,27,29-33,35,37,39-42,44,46-48,50-56,58-60,62-80H2,1-4H3,(H,93,94)(H,95,96)/b26-22-,28-24-,38-34-,43-36-,49-45-,61-57-/t81-,82-,83-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C87H158O17P2/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/h22,24,26,28,34,36,38,43,45,49,57,61,81-83,88H,5-21,23,25,27,29-33,35,37,39-42,44,46-48,50-56,58-60,62-80H2,1-4H3,(H,93,94)(H,95,96)/b26-22-,28-24-,38-34-,43-36-,49-45-,61-57-/t81-,82-,83-/m1/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][CH2:37][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][CH2:60][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]/[CH:61]=[CH:57]\[CH2:53]/[CH:49]=[CH:45]\[CH2:41]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH: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][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] |
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