| Properties | Image |
|---|
| MNX_ID | MNXM953153 |
 |
| reference | slm:000645538 |
| formula | C53H89NO9P |
| global charge | -1 |
| mol weight | 915.267 |
| InChIKey | IJKQKHGUPIPAFN-DOVHMXPXSA-M |
| InChI | InChI=1S/C53H90NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-42-45-53(57)63-50(49-62-64(58,59)61-47-46-54-51(55)43-40-9-6-3)48-60-52(56)44-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,25,27,31,33,50H,4-6,8-9,11-13,18-19,24,26,28-30,32,34-49H2,1-3H3,(H,54,55)(H,58,59)/p-1/b10-7-,16-14-,17-15-,22-20-,23-21-,27-25-,33-31-/t50-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H90NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-42-45-53(57)63-50(49-62-64(58,59)61-47-46-54-51(55)43-40-9-6-3)48-60-52(56)44-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,25,27,31,33,50H,4-6,8-9,11-13,18-19,24,26,28-30,32,34-49H2,1-3H3,(H,54,55)(H,58,59)/b10-7-,16-14-,17-15-,22-20-,23-21-,27-25-,33-31-/t50-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35][CH2:37][CH2:39][CH2:42][CH2:45][C:53](=[O:57])[O:63][C@H:50]([CH2:48][O:60][C:52]([CH2:44][CH2:41][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[CH2:49][O:62][P:64]([OH:58])(=[O:59])[O:61][CH2:47][CH2:46][N:54]=[C:51]([CH2:43][CH2:40][CH2:9][CH2:6][CH3:3])[OH:55] |
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