| Properties | Image |
|---|
| MNX_ID | MNXM962998 |
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| reference | slm:000655383 |
| formula | C77H135NO9P |
| global charge | -1 |
| mol weight | 1249.899 |
| InChIKey | KOBWANIBSDVCMR-UMEQNWDWSA-M |
| InChI | InChI=1S/C77H136NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-57-60-63-66-69-77(81)87-74(73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-18-15-12-9-6-3)72-84-76(80)68-65-62-59-56-53-51-49-47-45-43-41-32-30-28-26-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-26,29-32,34-35,43,45,74H,4-15,18,21-22,27-28,33,36-42,44,46-73H2,1-3H3,(H,78,79)(H,82,83)/p-1/b19-16-,20-17-,25-23-,26-24-,31-29-,32-30-,35-34-,45-43-/t74-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H136NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-57-60-63-66-69-77(81)87-74(73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-18-15-12-9-6-3)72-84-76(80)68-65-62-59-56-53-51-49-47-45-43-41-32-30-28-26-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-26,29-32,34-35,43,45,74H,4-15,18,21-22,27-28,33,36-42,44,46-73H2,1-3H3,(H,78,79)(H,82,83)/b19-16-,20-17-,25-23-,26-24-,31-29-,32-30-,35-34-,45-43-/t74-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:34]=[CH:35]\[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][C:77](=[O:81])[O:87][C@H:74]([CH2:72][O:84][C:76]([CH2:68][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:51][CH2:49][CH2:47]/[CH:45]=[CH:43]\[CH2:41]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:80])[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][CH2:58][CH2:55][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:79] |
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