| Properties | Image |
|---|
| MNX_ID | MNXM968121 |
 |
| reference | slm:000660506 |
| formula | C85H149NO9P |
| global charge | -1 |
| mol weight | 1360.099 |
| InChIKey | PUMQRLHHGJLOHU-OEKHTZHLSA-M |
| InChI | InChI=1S/C85H150NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-38-40-41-43-45-47-49-51-53-55-57-59-61-63-65-68-71-74-77-85(89)95-82(81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-15-12-9-6-3)80-92-84(88)76-73-70-67-64-62-60-58-56-54-52-50-48-46-44-42-39-37-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h16-19,22-25,28-31,34-37,40-41,82H,4-15,20-21,26-27,32-33,38-39,42-81H2,1-3H3,(H,86,87)(H,90,91)/p-1/b18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,36-34-,37-35-,41-40-/t82-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H150NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-38-40-41-43-45-47-49-51-53-55-57-59-61-63-65-68-71-74-77-85(89)95-82(81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-15-12-9-6-3)80-92-84(88)76-73-70-67-64-62-60-58-56-54-52-50-48-46-44-42-39-37-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h16-19,22-25,28-31,34-37,40-41,82H,4-15,20-21,26-27,32-33,38-39,42-81H2,1-3H3,(H,86,87)(H,90,91)/b18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,36-34-,37-35-,41-40-/t82-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38]/[CH:40]=[CH:41]\[CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:63][CH2:65][CH2:68][CH2:71][CH2:74][CH2:77][C:85](=[O:89])[O:95][C@H:82]([CH2:80][O:92][C:84]([CH2:76][CH2:73][CH2:70][CH2:67][CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:39]/[CH:37]=[CH:35]\[CH2:33]/[CH:31]=[CH:29]\[CH2:27]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:88])[CH2:81][O:94][P:96]([OH:90])(=[O:91])[O:93][CH2:79][CH2:78][N:86]=[C:83]([CH2:75][CH2:72][CH2:69][CH2:66][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:87] |
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