| Properties | Image |
|---|
| MNX_ID | MNXM193203 |
 |
| reference | slm:000030576 |
| formula | C59H98NO8P |
| global charge | 0 |
| mol weight | 980.406 |
| InChIKey | XCRQTUKXRDTASZ-AJKDKZRPSA-N |
| InChI | InChI=1S/C59H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-42-44-46-48-50-52-59(62)68-57(56-67-69(63,64)66-54-53-60)55-65-58(61)51-49-47-45-43-41-39-37-35-33-31-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28,30-31,33-34,36,57H,3-5,7,9-10,15-16,21-22,27,29,32,35,37-56,60H2,1-2H3,(H,63,64)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-28-,33-31-,36-34-/t57-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-42-44-46-48-50-52-59(62)68-57(56-67-69(63,64)66-54-53-60)55-65-58(61)51-49-47-45-43-41-39-37-35-33-31-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28,30-31,33-34,36,57H,3-5,7,9-10,15-16,21-22,27,29,32,35,37-56,60H2,1-2H3,(H,63,64)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-28-,33-31-,36-34-/t57-/m1/s1 |
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| 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:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:59](=[O:62])[O:68][C@H:57]([CH2:55][O:65][C:58]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:61])[CH2:56][O:67][P:69]([OH:63])(=[O:64])[O:66][CH2:54][CH2:53][NH2:60] |
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