| Properties | Image |
|---|
| MNX_ID | MNXM961036 |
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| reference | slm:000653421 |
| formula | C67H113NO9P |
| global charge | -1 |
| mol weight | 1107.613 |
| InChIKey | VCGRMXBHDJKXRP-DZKADDCLSA-M |
| InChI | InChI=1S/C67H114NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-53-56-59-67(71)77-64(63-76-78(72,73)75-61-60-68-65(69)57-54-51-12-9-6-3)62-74-66(70)58-55-52-49-47-45-43-41-39-37-26-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,27-28,30-31,33-34,37,39,43,45,64H,4-14,19-20,25-26,29,32,35-36,38,40-42,44,46-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b17-15-,18-16-,23-21-,24-22-,28-27-,31-30-,34-33-,39-37-,45-43-/t64-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H114NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-53-56-59-67(71)77-64(63-76-78(72,73)75-61-60-68-65(69)57-54-51-12-9-6-3)62-74-66(70)58-55-52-49-47-45-43-41-39-37-26-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,27-28,30-31,33-34,37,39,43,45,64H,4-14,19-20,25-26,29,32,35-36,38,40-42,44,46-63H2,1-3H3,(H,68,69)(H,72,73)/b17-15-,18-16-,23-21-,24-22-,28-27-,31-30-,34-33-,39-37-,45-43-/t64-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:53][CH2:56][CH2:59][C:67](=[O:71])[O:77][C@H:64]([CH2:62][O:74][C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:47]/[CH:45]=[CH:43]\[CH2:41]/[CH:39]=[CH:37]\[CH2:26]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70])[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][CH2:12][CH2:9][CH2:6][CH3:3])[OH:69] |
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