| Properties | Image |
|---|
| MNX_ID | MNXM193679 |
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| reference | slm:000030606 |
| formula | C69H118NO8P |
| global charge | 0 |
| mol weight | 1120.676 |
| InChIKey | JTOKRABCMXGWDT-TWWHEDRWSA-N |
| InChI | InChI=1S/C69H118NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-69(72)78-67(66-77-79(73,74)76-64-63-70)65-75-68(71)61-59-57-55-53-51-49-47-45-43-41-39-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,28-29,41,43,67H,3-4,9-10,15-16,21-22,27,30-40,42,44-66,70H2,1-2H3,(H,73,74)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,43-41-/t67-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C69H118NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-69(72)78-67(66-77-79(73,74)76-64-63-70)65-75-68(71)61-59-57-55-53-51-49-47-45-43-41-39-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,28-29,41,43,67H,3-4,9-10,15-16,21-22,27,30-40,42,44-66,70H2,1-2H3,(H,73,74)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,43-41-/t67-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][CH2:62][C:69](=[O:72])[O:78][C@H:67]([CH2:65][O:75][C:68]([CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45]/[CH:43]=[CH:41]\[CH2:39]/[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:71])[CH2:66][O:77][P:79]([OH:73])(=[O:74])[O:76][CH2:64][CH2:63][NH2:70] |
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