| Properties | Image |
|---|
| MNX_ID | MNXM957983 |
 |
| reference | slm:000650368 |
| formula | C55H89NO9P |
| global charge | -1 |
| mol weight | 939.289 |
| InChIKey | XTXWJZOZIOQINM-YMBIKUERSA-M |
| InChI | InChI=1S/C55H90NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-46-54(58)62-50-52(51-64-66(60,61)63-49-48-56-53(57)45-42-9-6-3)65-55(59)47-44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h8,11,14-17,20-23,26-29,33,35,39,41,52H,4-7,9-10,12-13,18-19,24-25,30-32,34,36-38,40,42-51H2,1-3H3,(H,56,57)(H,60,61)/p-1/b11-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,35-33-,41-39-/t52-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H90NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-46-54(58)62-50-52(51-64-66(60,61)63-49-48-56-53(57)45-42-9-6-3)65-55(59)47-44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h8,11,14-17,20-23,26-29,33,35,39,41,52H,4-7,9-10,12-13,18-19,24-25,30-32,34,36-38,40,42-51H2,1-3H3,(H,56,57)(H,60,61)/b11-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,35-33-,41-39-/t52-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:43][CH2:46][C:54](=[O:58])[O:62][CH2:50][C@H:52]([CH2:51][O:64][P:66]([OH:60])(=[O:61])[O:63][CH2:49][CH2:48][N:56]=[C:53]([CH2:45][CH2:42][CH2:9][CH2:6][CH3:3])[OH:57])[O:65][C:55]([CH2:47][CH2:44]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:59] |
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