| Properties | Image |
|---|
| MNX_ID | MNXM154562 |
 |
| reference | lipidmapsM:LMGP12011049 |
| formula | C89H166O17P2 |
| global charge | 0 |
| mol weight | 1570.238 |
| InChIKey | ZCJDLQGKZITXLQ-CSHIKFTRSA-N |
| InChI | InChI=1S/C89H166O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25,33,37,45,49,57,61,83-85,90H,5-20,22-24,26-32,34-36,38-44,46-48,50-56,58-60,62-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,37-33-,49-45-,61-57-/t83-,84+,85+/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)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C89H166O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25,33,37,45,49,57,61,83-85,90H,5-20,22-24,26-32,34-36,38-44,46-48,50-56,58-60,62-82H2,1-4H3,(H,95,96)(H,97,98)/b25-21-,37-33-,49-45-,61-57-/t83-,84+,85+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:41]/[CH:45]=[CH:49]\[CH2:53]/[CH:57]=[CH:61]\[CH2:65][CH2:69][CH2:73][C:86](=[O:91])[O:99][CH2:79][C@H:84]([CH2:81][O:103][P:107]([OH:95])(=[O:96])[O:101][CH2:77][C@@H:83]([CH2:78][O:102][P:108]([OH:97])(=[O:98])[O:104][CH2:82][C@@H:85]([CH2:80][O:100][C:87]([CH2:74][CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:92])[O:106][C:89]([CH2:76][CH2:72][CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:94])[OH:90])[O:105][C:88]([CH2:75][CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:93] |
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