| Properties | Image |
|---|
| MNX_ID | MNXM957889 |
 |
| reference | slm:000650274 |
| formula | C67H115NO9P |
| global charge | -1 |
| mol weight | 1109.629 |
| InChIKey | BUAANLYBXZFPTQ-VFKIPATISA-M |
| InChI | InChI=1S/C67H116NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-31-32-33-35-37-39-41-44-47-50-53-56-59-67(71)77-64(63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-21-18-15-12-9-6-3)62-74-66(70)58-55-52-49-46-43-40-38-36-34-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-31,33-36,64H,4-6,8-9,11-15,18,21-23,28-29,32,37-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b10-7-,19-16-,20-17-,26-24-,27-25-,31-30-,35-33-,36-34-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H116NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-31-32-33-35-37-39-41-44-47-50-53-56-59-67(71)77-64(63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-21-18-15-12-9-6-3)62-74-66(70)58-55-52-49-46-43-40-38-36-34-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-31,33-36,64H,4-6,8-9,11-15,18,21-23,28-29,32,37-63H2,1-3H3,(H,68,69)(H,72,73)/b10-7-,19-16-,20-17-,26-24-,27-25-,31-30-,35-33-,36-34-/t64-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH: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][CH2:44][CH2:47][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][CH2:46][CH2:43][CH2:40][CH2:38]/[CH:36]=[CH:34]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[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][CH2:48][CH2:45][CH2:42][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:69] |
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