| Properties | Image |
|---|
| MNX_ID | MNXM182983 |
 |
| reference | slm:000006591 |
| formula | C64H111NO10P |
| global charge | -1 |
| mol weight | 1085.563 |
| InChIKey | WFGDSLJXWQPRQE-ZSAZTCFVSA-M |
| InChI | InChI=1S/C64H112NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-63(67)75-60(58-73-76(70,71)74-59-61(65)64(68)69)57-72-62(66)55-53-51-49-47-45-43-41-39-37-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-24,26-27,37,39,60-61H,3-10,15-16,21-22,25,28-36,38,40-59,65H2,1-2H3,(H,68,69)(H,70,71)/p-1/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,39-37-/t60-,61+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/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/C64H112NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-63(67)75-60(58-73-76(70,71)74-59-61(65)64(68)69)57-72-62(66)55-53-51-49-47-45-43-41-39-37-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-24,26-27,37,39,60-61H,3-10,15-16,21-22,25,28-36,38,40-59,65H2,1-2H3,(H,68,69)(H,70,71)/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,39-37-/t60-,61+/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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:63](=[O:67])[O:75][C@H:60]([CH2:57][O:72][C:62]([CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:37]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:66])[CH2:58][O:73][P:76]([OH:70])(=[O:71])[O:74][CH2:59][C@@H:61]([C:64](=[O:68])[OH:69])[NH2:65] |
|