| Properties | Image |
|---|
| MNX_ID | MNXM939028 |
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| reference | slm:000631413 |
| formula | C69H115NO9P |
| global charge | -1 |
| mol weight | 1133.651 |
| InChIKey | OROPGAZISUZXPH-BJZMAMLCSA-M |
| InChI | InChI=1S/C69H116NO9P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-43-45-47-49-51-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-12-9-6-3)79-69(73)61-58-55-52-50-48-46-44-41-24-22-20-18-16-14-11-8-5-2/h7-8,10-11,15-18,21-24,26-27,29-30,44,46,50,52,66H,4-6,9,12-14,19-20,25,28,31-43,45,47-49,51,53-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,11-8-,17-15-,18-16-,23-21-,24-22-,27-26-,30-29-,46-44-,52-50-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C69H116NO9P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-43-45-47-49-51-54-57-60-68(72)76-64-66(65-78-80(74,75)77-63-62-70-67(71)59-56-53-12-9-6-3)79-69(73)61-58-55-52-50-48-46-44-41-24-22-20-18-16-14-11-8-5-2/h7-8,10-11,15-18,21-24,26-27,29-30,44,46,50,52,66H,4-6,9,12-14,19-20,25,28,31-43,45,47-49,51,53-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,11-8-,17-15-,18-16-,23-21-,24-22-,27-26-,30-29-,46-44-,52-50-/t66-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:43][CH2:45][CH2:47][CH2:49][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][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71])[O:79][C:69]([CH2:61][CH2:58][CH2:55]/[CH:52]=[CH:50]\[CH2:48]/[CH:46]=[CH:44]\[CH2:41]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:73] |
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