| Properties | Image |
|---|
| MNX_ID | MNXM964513 |
 |
| reference | slm:000656898 |
| formula | C68H125NO9P |
| global charge | -1 |
| mol weight | 1131.72 |
| InChIKey | RRSGTIZUMPPRNH-LRKPFLCXSA-M |
| InChI | InChI=1S/C68H126NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-39-42-44-47-50-53-56-59-67(71)75-63-65(78-68(72)60-57-54-51-48-45-41-27-24-21-18-15-12-9-6-3)64-77-79(73,74)76-62-61-69-66(70)58-55-52-49-46-43-40-38-26-23-20-17-14-11-8-5-2/h16,19,25,28,30-31,33-34,65H,4-15,17-18,20-24,26-27,29,32,35-64H2,1-3H3,(H,69,70)(H,73,74)/p-1/b19-16-,28-25-,31-30-,34-33-/t65-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H126NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-39-42-44-47-50-53-56-59-67(71)75-63-65(78-68(72)60-57-54-51-48-45-41-27-24-21-18-15-12-9-6-3)64-77-79(73,74)76-62-61-69-66(70)58-55-52-49-46-43-40-38-26-23-20-17-14-11-8-5-2/h16,19,25,28,30-31,33-34,65H,4-15,17-18,20-24,26-27,29,32,35-64H2,1-3H3,(H,69,70)(H,73,74)/b19-16-,28-25-,31-30-,34-33-/t65-/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][CH2:36][CH2:37][CH2:39][CH2:42][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:67](=[O:71])[O:75][CH2:63][C@H:65]([CH2:64][O:77][P:79]([OH:73])(=[O:74])[O:76][CH2:62][CH2:61][N:69]=[C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:38][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:70])[O:78][C:68]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:41][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:72] |
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