| Properties | Image |
|---|
| MNX_ID | MNXM299810 |
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| reference | slm:000498382 |
| formula | C67H114NO8P |
| global charge | 0 |
| mol weight | 1092.622 |
| InChIKey | MAESFGCDOOHPJN-SYIVQSLRSA-N |
| InChI | InChI=1S/C67H114NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-67(70)76-65(64-75-77(71,72)74-62-61-68)63-73-66(69)59-57-55-53-51-49-47-45-43-41-39-37-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,28-29,31-32,39,41,45,47,65H,3-10,15-16,21-22,27,30,33-38,40,42-44,46,48-64,68H2,1-2H3,(H,71,72)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,41-39-,47-45-/t65-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C67H114NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-67(70)76-65(64-75-77(71,72)74-62-61-68)63-73-66(69)59-57-55-53-51-49-47-45-43-41-39-37-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,28-29,31-32,39,41,45,47,65H,3-10,15-16,21-22,27,30,33-38,40,42-44,46,48-64,68H2,1-2H3,(H,71,72)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,41-39-,47-45-/t65-/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]\[CH2:33][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][CH2:58][CH2:60][C:67](=[O:70])[O:76][C@H:65]([CH2:63][O:73][C:66]([CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49]/[CH:47]=[CH:45]\[CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[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:69])[CH2:64][O:75][P:77]([OH:71])(=[O:72])[O:74][CH2:62][CH2:61][NH2:68] |
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