| Properties | Image |
|---|
| MNX_ID | MNXM194417 |
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| reference | slm:000014699 |
| formula | C61H100O13P |
| global charge | -1 |
| mol weight | 1072.432 |
| InChIKey | KASJFCRHKJDALR-KWMYIEELSA-M |
| InChI | InChI=1S/C61H101O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-54(62)71-51-53(52-72-75(69,70)74-61-59(67)57(65)56(64)58(66)60(61)68)73-55(63)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,53,56-61,64-68H,3-5,7,9-10,15-16,21-22,27-28,33-52H2,1-2H3,(H,69,70)/p-1/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t53-,56-,57-,58+,59-,60-,61-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C61H101O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-54(62)71-51-53(52-72-75(69,70)74-61-59(67)57(65)56(64)58(66)60(61)68)73-55(63)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,53,56-61,64-68H,3-5,7,9-10,15-16,21-22,27-28,33-52H2,1-2H3,(H,69,70)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t53-,56-,57-,58+,59-,60-,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:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:54](=[O:62])[O:71][CH2:51][C@H:53]([CH2:52][O:72][P:75]([OH:69])(=[O:70])[O:74][C@@H:61]1[C@H:59]([OH:67])[C@H:57]([OH:65])[C@@H:56]([OH:64])[C@H:58]([OH:66])[C@H:60]1[OH:68])[O:73][C:55]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][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]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:63] |
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