| Properties | Image |
|---|
| MNX_ID | MNXM966044 |
 |
| reference | slm:000658429 |
| formula | C77H129NO9P |
| global charge | -1 |
| mol weight | 1243.851 |
| InChIKey | XAPYFFGFRFZDEY-QZSIFYKQSA-M |
| InChI | InChI=1S/C77H130NO9P/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-36-37-38-39-40-41-42-45-47-50-53-56-59-62-65-68-76(80)84-72-74(87-77(81)69-66-63-60-57-54-51-48-44-30-27-24-21-18-15-12-9-6-3)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-43-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32-33,35-36,46,49,55,58,74H,4-8,10-11,13-15,22-24,31,34,37-45,47-48,50-54,56-57,59-73H2,1-3H3,(H,78,79)(H,82,83)/p-1/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,33-32-,36-35-,49-46-,58-55-/t74-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H130NO9P/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-36-37-38-39-40-41-42-45-47-50-53-56-59-62-65-68-76(80)84-72-74(87-77(81)69-66-63-60-57-54-51-48-44-30-27-24-21-18-15-12-9-6-3)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-43-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32-33,35-36,46,49,55,58,74H,4-8,10-11,13-15,22-24,31,34,37-45,47-48,50-54,56-57,59-73H2,1-3H3,(H,78,79)(H,82,83)/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,33-32-,36-35-,49-46-,58-55-/t74-/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]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34]/[CH:35]=[CH:36]\[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:45][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][C:76](=[O:80])[O:84][CH2:72][C@H:74]([CH2:73][O:86][P:88]([OH:82])(=[O:83])[O:85][CH2:71][CH2:70][N:78]=[C:75]([CH2:67][CH2:64][CH2:61]/[CH:58]=[CH:55]\[CH2:52]/[CH:49]=[CH:46]\[CH2:43]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:79])[O:87][C:77]([CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:44]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:81] |
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