| Properties | Image |
|---|
| MNX_ID | MNXM960540 |
 |
| reference | slm:000652925 |
| formula | C67H113NO9P |
| global charge | -1 |
| mol weight | 1107.613 |
| InChIKey | JTPADIOJWYUIDF-SBCWSVMSSA-M |
| InChI | InChI=1S/C67H114NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-66(70)74-62-64(77-67(71)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3/h16-21,25-29,32-36,40,43,64H,4-15,22-24,30-31,37-39,41-42,44-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-/t64-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H114NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-66(70)74-62-64(77-67(71)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3/h16-21,25-29,32-36,40,43,64H,4-15,22-24,30-31,37-39,41-42,44-63H2,1-3H3,(H,68,69)(H,72,73)/b19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,43-40-/t64-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:37]/[CH:40]=[CH:43]\[CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][C:66](=[O:70])[O:74][CH2:62][C@H:64]([CH2:63][O:76][P:78]([OH:72])(=[O:73])[O:75][CH2:61][CH2:60][N:68]=[C:65]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39]/[CH:36]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:69])[O:77][C:67]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:71] |
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