| Properties | Image |
|---|
| MNX_ID | MNXM316372 |
 |
| reference | slm:000004951 |
| formula | C54H87NO10P |
| global charge | -1 |
| mol weight | 941.261 |
| InChIKey | IBJSHERYSWRNAH-ULRFXJAZSA-M |
| InChI | InChI=1S/C54H88NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,36,38,50-51H,3-10,15-16,21-22,27-28,33-35,37,39-49,55H2,1-2H3,(H,58,59)(H,60,61)/p-1/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t50-,51+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C54H88NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,36,38,50-51H,3-10,15-16,21-22,27-28,33-35,37,39-49,55H2,1-2H3,(H,58,59)(H,60,61)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t50-,51+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:52](=[O:56])[O:62][CH2:47][C@H:50]([CH2:48][O:63][P:66]([OH:60])(=[O:61])[O:64][CH2:49][C@@H:51]([C:54](=[O:58])[OH:59])[NH2:55])[O:65][C:53]([CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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