| Properties | Image |
|---|
| MNX_ID | MNXM963257 |
 |
| reference | slm:000655642 |
| formula | C67H115NO9P |
| global charge | -1 |
| mol weight | 1109.629 |
| InChIKey | BUOISCFZDVPUKK-FJIBZWLTSA-M |
| InChI | InChI=1S/C67H116NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-38-40-43-46-49-52-55-58-66(70)74-62-64(77-67(71)59-56-53-50-47-44-41-37-27-24-21-18-15-12-9-6-3)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30-31,33-34,36,42,44-45,47,64H,4-15,18,21-24,27,29,32,35,37-41,43,46,48-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b19-16-,20-17-,28-25-,31-30-,34-33-,36-26-,45-42-,47-44-/t64-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCC/C=C\CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H116NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-38-40-43-46-49-52-55-58-66(70)74-62-64(77-67(71)59-56-53-50-47-44-41-37-27-24-21-18-15-12-9-6-3)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30-31,33-34,36,42,44-45,47,64H,4-15,18,21-24,27,29,32,35,37-41,43,46,48-63H2,1-3H3,(H,68,69)(H,72,73)/b19-16-,20-17-,28-25-,31-30-,34-33-,36-26-,45-42-,47-44-/t64-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:38][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][C:66](=[O:70])[O:74][CH2:62][C@H:64]([CH2:63][O:76][P:78]([OH:72])(=[O:73])[O:75][CH2:61][CH2:60][N:68]=[C:65]([CH2:57][CH2:54][CH2:51][CH2:48]/[CH:45]=[CH:42]\[CH2:39]/[CH:36]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:69])[O:77][C:67]([CH2:59][CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:41][CH2:37][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:71] |
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