| Properties | Image |
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| MNX_ID | MNXM952993 |
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| reference | slm:000645378 |
| formula | C65H111NO9P |
| global charge | -1 |
| mol weight | 1081.575 |
| InChIKey | UMGXIMQGHXDMTO-HSEDIBEESA-M |
| InChI | InChI=1S/C65H112NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-37-40-43-46-49-52-55-63(67)66-58-59-73-76(70,71)74-61-62(75-65(69)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)60-72-64(68)56-53-50-47-44-41-38-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,37,40,46,49,62H,4-6,8-9,11-15,18,21-24,27,30,32,34-36,38-39,41-45,47-48,50-61H2,1-3H3,(H,66,67)(H,70,71)/p-1/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,40-37-,49-46-/t62-/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\CCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H112NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-37-40-43-46-49-52-55-63(67)66-58-59-73-76(70,71)74-61-62(75-65(69)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)60-72-64(68)56-53-50-47-44-41-38-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,31,33,37,40,46,49,62H,4-6,8-9,11-15,18,21-24,27,30,32,34-36,38-39,41-45,47-48,50-61H2,1-3H3,(H,66,67)(H,70,71)/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,40-37-,49-46-/t62-/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:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:33]\[CH2:35]/[CH:37]=[CH:40]\[CH2:43]/[CH:46]=[CH:49]\[CH2:52][CH2:55][C:63](=[N:66][CH2:58][CH2:59][O:73][P:76]([OH:70])(=[O:71])[O:74][CH2:61][C@@H:62]([CH2:60][O:72][C:64]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:36][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68])[O:75][C:65]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:34][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:69])[OH:67] |
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