| Properties | Image |
|---|
| MNX_ID | MNXM961252 |
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| reference | slm:000653637 |
| formula | C69H121NO9P |
| global charge | -1 |
| mol weight | 1139.699 |
| InChIKey | BTHPVZSUDPVZQU-HDSJSQSOSA-M |
| InChI | InChI=1S/C69H122NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-68(72)76-64-66(79-69(73)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,32-33,36,38-39,66H,4-8,10-11,13-15,17,20,22-24,26,29-31,34-35,37,40-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b12-9-,19-16-,21-18-,28-25-,33-32-,38-27-,39-36-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H122NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-68(72)76-64-66(79-69(73)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3/h9,12,16,18-19,21,25,27-28,32-33,36,38-39,66H,4-8,10-11,13-15,17,20,22-24,26,29-31,34-35,37,40-65H2,1-3H3,(H,70,71)(H,74,75)/b12-9-,19-16-,21-18-,28-25-,33-32-,38-27-,39-36-/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:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:33]\[CH2:35]/[CH:36]=[CH:39]\[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][CH2:41]/[CH:38]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])[OH:71])[O:79][C:69]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:73] |
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