| Properties | Image |
|---|
| MNX_ID | MNXM961516 |
 |
| reference | slm:000653901 |
| formula | C67H111NO9P |
| global charge | -1 |
| mol weight | 1105.597 |
| InChIKey | WUPIVQFKNWJHNY-POANHXHTSA-M |
| InChI | InChI=1S/C67H112NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-66(70)74-62-64(77-67(71)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,31-33,35-37,41,44,50,53,64H,4-7,9-10,12-15,18,21-24,29-30,34,38-40,42-43,45-49,51-52,54-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b11-8-,19-16-,20-17-,27-25-,28-26-,32-31-,36-33-,37-35-,44-41-,53-50-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H112NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-66(70)74-62-64(77-67(71)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-28,31-33,35-37,41,44,50,53,64H,4-7,9-10,12-15,18,21-24,29-30,34,38-40,42-43,45-49,51-52,54-63H2,1-3H3,(H,68,69)(H,72,73)/b11-8-,19-16-,20-17-,27-25-,28-26-,32-31-,36-33-,37-35-,44-41-,53-50-/t64-/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:27]\[CH2:29]/[CH:31]=[CH:32]\[CH2:34]/[CH:35]=[CH:37]\[CH2:40][CH2:43][CH2:46][CH2:49][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][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:69])[O:77][C:67]([CH2:59][CH2:56]/[CH:53]=[CH:50]\[CH2:47]/[CH:44]=[CH:41]\[CH2:38]/[CH:36]=[CH:33]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:71] |
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