| Properties | Image |
|---|
| MNX_ID | MNXM964243 |
 |
| reference | slm:000656628 |
| formula | C69H117NO9P |
| global charge | -1 |
| mol weight | 1135.667 |
| InChIKey | XUFHONOFQKEDFP-CVJULJNLSA-M |
| InChI | InChI=1S/C69H118NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-33-35-36-38-40-42-44-46-48-51-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-15-12-9-6-3)79-69(73)61-58-55-52-49-47-45-43-41-39-37-34-31-29-27-25-23-21-19-17-14-11-8-5-2/h16-19,22-25,28-31,33,35,37,39,43,45,66H,4-15,20-21,26-27,32,34,36,38,40-42,44,46-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,35-33-,39-37-,45-43-/t66-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H118NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-33-35-36-38-40-42-44-46-48-51-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-15-12-9-6-3)79-69(73)61-58-55-52-49-47-45-43-41-39-37-34-31-29-27-25-23-21-19-17-14-11-8-5-2/h16-19,22-25,28-31,33,35,37,39,43,45,66H,4-15,20-21,26-27,32,34,36,38,40-42,44,46-65H2,1-3H3,(H,70,71)(H,74,75)/b18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,35-33-,39-37-,45-43-/t66-/m1/s1 |
 |
| 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:33]=[CH:35]\[CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][C:68](=[O:72])[O:76][CH2:64][C@H:66]([CH2:65][O:78][P:80]([OH:74])(=[O:75])[O:77][CH2:63][CH2:62][N:70]=[C:67]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71])[O:79][C:69]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:47]/[CH:45]=[CH:43]\[CH2:41]/[CH:39]=[CH:37]\[CH2:34]/[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:73] |
|