| Properties | Image |
|---|
| MNX_ID | MNXM963311 |
 |
| reference | slm:000655696 |
| formula | C66H109NO9P |
| global charge | -1 |
| mol weight | 1091.57 |
| InChIKey | IXCSYTZXXPGEJT-CFYAPTDDSA-M |
| InChI | InChI=1S/C66H110NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-31-32-33-35-37-39-41-43-46-48-51-54-57-65(69)73-61-63(76-66(70)58-55-52-49-45-21-18-15-12-9-6-3)62-75-77(71,72)74-60-59-67-64(68)56-53-50-47-44-42-40-38-36-34-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-31,33-36,40,42,47,50,63H,4-7,9-10,12-15,18,21-23,28-29,32,37-39,41,43-46,48-49,51-62H2,1-3H3,(H,67,68)(H,71,72)/p-1/b11-8-,19-16-,20-17-,26-24-,27-25-,31-30-,35-33-,36-34-,42-40-,50-47-/t63-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H110NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-31-32-33-35-37-39-41-43-46-48-51-54-57-65(69)73-61-63(76-66(70)58-55-52-49-45-21-18-15-12-9-6-3)62-75-77(71,72)74-60-59-67-64(68)56-53-50-47-44-42-40-38-36-34-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-31,33-36,40,42,47,50,63H,4-7,9-10,12-15,18,21-23,28-29,32,37-39,41,43-46,48-49,51-62H2,1-3H3,(H,67,68)(H,71,72)/b11-8-,19-16-,20-17-,26-24-,27-25-,31-30-,35-33-,36-34-,42-40-,50-47-/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:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][CH2:46][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]/[CH:50]=[CH:47]\[CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:68])[O:76][C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:45][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:70] |
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