| Properties | Image |
|---|
| MNX_ID | MNXM939013 |
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| reference | slm:000631398 |
| formula | C67H113NO9P |
| global charge | -1 |
| mol weight | 1107.613 |
| InChIKey | UILZCVTUGIMKQT-YJTGPNKPSA-M |
| InChI | InChI=1S/C67H114NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-55-58-66(70)74-62-64(63-76-78(72,73)75-61-60-68-65(69)57-54-9-6-3)77-67(71)59-56-53-51-49-47-45-43-40-23-21-19-17-15-13-11-8-5-2/h7-8,10-11,14-17,20-23,25-26,28-29,43,45,64H,4-6,9,12-13,18-19,24,27,30-42,44,46-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b10-7-,11-8-,16-14-,17-15-,22-20-,23-21-,26-25-,29-28-,45-43-/t64-/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)CCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C67H114NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-55-58-66(70)74-62-64(63-76-78(72,73)75-61-60-68-65(69)57-54-9-6-3)77-67(71)59-56-53-51-49-47-45-43-40-23-21-19-17-15-13-11-8-5-2/h7-8,10-11,14-17,20-23,25-26,28-29,43,45,64H,4-6,9,12-13,18-19,24,27,30-42,44,46-63H2,1-3H3,(H,68,69)(H,72,73)/b10-7-,11-8-,16-14-,17-15-,22-20-,23-21-,26-25-,29-28-,45-43-/t64-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][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][CH2:9][CH2:6][CH3:3])[OH:69])[O:77][C:67]([CH2:59][CH2:56][CH2:53][CH2:51][CH2:49][CH2:47]/[CH:45]=[CH:43]\[CH2:40]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:71] |
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