| Properties | Image |
|---|
| MNX_ID | MNXM962166 |
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| reference | slm:000654551 |
| formula | C66H113NO9P |
| global charge | -1 |
| mol weight | 1095.602 |
| InChIKey | AYQBTDOISBJIQM-TWHBTVTBSA-M |
| InChI | InChI=1S/C66H114NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-42-45-48-51-54-57-65(69)73-61-63(76-66(70)58-55-52-49-46-43-39-27-24-21-18-15-12-9-6-3)62-75-77(71,72)74-60-59-67-64(68)56-53-50-47-44-41-38-36-34-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31-32,35-38,44,47,63H,4-15,18,21-24,27,30,33-34,39-43,45-46,48-62H2,1-3H3,(H,67,68)(H,71,72)/p-1/b19-16-,20-17-,28-25-,29-26-,32-31-,37-35-,38-36-,47-44-/t63-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H114NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-42-45-48-51-54-57-65(69)73-61-63(76-66(70)58-55-52-49-46-43-39-27-24-21-18-15-12-9-6-3)62-75-77(71,72)74-60-59-67-64(68)56-53-50-47-44-41-38-36-34-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31-32,35-38,44,47,63H,4-15,18,21-24,27,30,33-34,39-43,45-46,48-62H2,1-3H3,(H,67,68)(H,71,72)/b19-16-,20-17-,28-25-,29-26-,32-31-,37-35-,38-36-,47-44-/t63-/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:31]=[CH:32]\[CH2:33]/[CH:35]=[CH:37]\[CH2:40][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][C:65](=[O:69])[O:73][CH2:61][C@H:63]([CH2:62][O:75][P:77]([OH:71])(=[O:72])[O:74][CH2:60][CH2:59][N:67]=[C:64]([CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:41]/[CH:38]=[CH:36]\[CH2:34]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:68])[O:76][C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:39][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:70] |
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