| Properties | Image |
|---|
| MNX_ID | MNXM963055 |
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| reference | slm:000655440 |
| formula | C69H117NO9P |
| global charge | -1 |
| mol weight | 1135.667 |
| InChIKey | FIROAEJQERCSFO-WBFRKQQPSA-M |
| InChI | InChI=1S/C69H118NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-32-33-35-36-38-40-42-45-48-51-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-21-18-15-12-9-6-3)79-69(73)61-58-55-52-49-46-43-41-39-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-32,34-36,39,41,46,49,66H,4-15,18,21-23,28-29,33,37-38,40,42-45,47-48,50-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b19-16-,20-17-,26-24-,27-25-,32-30-,34-31-,36-35-,41-39-,49-46-/t66-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H118NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-32-33-35-36-38-40-42-45-48-51-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-21-18-15-12-9-6-3)79-69(73)61-58-55-52-49-46-43-41-39-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-32,34-36,39,41,46,49,66H,4-15,18,21-23,28-29,33,37-38,40,42-45,47-48,50-65H2,1-3H3,(H,70,71)(H,74,75)/b19-16-,20-17-,26-24-,27-25-,32-30-,34-31-,36-35-,41-39-,49-46-/t66-/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:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:33]/[CH:35]=[CH:36]\[CH2:38][CH2:40][CH2:42][CH2:45][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][CH2:47][CH2:44][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71])[O:79][C:69]([CH2:61][CH2:58][CH2:55][CH2:52]/[CH:49]=[CH:46]\[CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:34]=[CH:31]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:73] |
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