| Properties | Image |
|---|
| MNX_ID | MNXM193439 |
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| reference | slm:000490060 |
| formula | C64H105NO10P |
| global charge | -1 |
| mol weight | 1079.515 |
| InChIKey | BIMXXLUHKLZTIP-ZPSZKCEZSA-M |
| InChI | InChI=1S/C64H106NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-54-56-63(67)75-60(58-73-76(70,71)74-59-61(65)64(68)69)57-72-62(66)55-53-51-49-47-45-43-41-39-37-35-33-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28-29,31-32,35,37,60-61H,3-5,7,9-10,15-16,21-22,27,30,33-34,36,38-59,65H2,1-2H3,(H,68,69)(H,70,71)/p-1/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,37-35-/t60-,61+/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-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H106NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-54-56-63(67)75-60(58-73-76(70,71)74-59-61(65)64(68)69)57-72-62(66)55-53-51-49-47-45-43-41-39-37-35-33-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28-29,31-32,35,37,60-61H,3-5,7,9-10,15-16,21-22,27,30,33-34,36,38-59,65H2,1-2H3,(H,68,69)(H,70,71)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,37-35-/t60-,61+/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:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:34][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][CH2:39]/[CH:37]=[CH:35]\[CH2:33]/[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: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] |
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