| Properties | Image |
|---|
| MNX_ID | MNXM938772 |
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| reference | slm:000631157 |
| formula | C64H107NO9P |
| global charge | -1 |
| mol weight | 1065.532 |
| InChIKey | UACRDGCVTPNDSN-FJVVPMBFSA-M |
| InChI | InChI=1S/C64H108NO9P/c1-4-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-64(68)71-59-61(74-63(67)6-3)60-73-75(69,70)72-58-57-65-62(66)55-53-51-49-47-45-43-41-39-22-20-18-16-14-12-10-8-5-2/h7,9,13-16,19-22,24-25,27-28,41,43,47,49,61H,4-6,8,10-12,17-18,23,26,29-40,42,44-46,48,50-60H2,1-3H3,(H,65,66)(H,69,70)/p-1/b9-7-,15-13-,16-14-,21-19-,22-20-,25-24-,28-27-,43-41-,49-47-/t61-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C64H108NO9P/c1-4-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-64(68)71-59-61(74-63(67)6-3)60-73-75(69,70)72-58-57-65-62(66)55-53-51-49-47-45-43-41-39-22-20-18-16-14-12-10-8-5-2/h7,9,13-16,19-22,24-25,27-28,41,43,47,49,61H,4-6,8,10-12,17-18,23,26,29-40,42,44-46,48,50-60H2,1-3H3,(H,65,66)(H,69,70)/b9-7-,15-13-,16-14-,21-19-,22-20-,25-24-,28-27-,43-41-,49-47-/t61-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][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][C:64](=[O:68])[O:71][CH2:59][C@H:61]([CH2:60][O:73][P:75]([OH:69])(=[O:70])[O:72][CH2:58][CH2:57][N:65]=[C:62]([CH2:55][CH2:53][CH2:51]/[CH:49]=[CH:47]\[CH2:45]/[CH:43]=[CH:41]\[CH2:39]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])[OH:66])[O:74][C:63]([CH2:6][CH3:3])=[O:67] |
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