| Properties | Image |
|---|
| MNX_ID | MNXM964605 |
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| reference | slm:000656990 |
| formula | C77H133NO9P |
| global charge | -1 |
| mol weight | 1247.883 |
| InChIKey | RNOFKDHNOITPMX-LAGAOANJSA-M |
| InChI | InChI=1S/C77H134NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-57-59-61-63-66-69-77(81)87-74(73-86-88(82,83)85-71-70-78-75(79)67-64-9-6-3)72-84-76(80)68-65-62-60-58-56-54-52-50-48-46-44-42-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,26-29,32-33,35-36,42,44,74H,4-13,18-19,24-25,30-31,34,37-41,43,45-73H2,1-3H3,(H,78,79)(H,82,83)/p-1/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,33-32-,36-35-,44-42-/t74-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H134NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-57-59-61-63-66-69-77(81)87-74(73-86-88(82,83)85-71-70-78-75(79)67-64-9-6-3)72-84-76(80)68-65-62-60-58-56-54-52-50-48-46-44-42-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,26-29,32-33,35-36,42,44,74H,4-13,18-19,24-25,30-31,34,37-41,43,45-73H2,1-3H3,(H,78,79)(H,82,83)/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,33-32-,36-35-,44-42-/t74-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:33]\[CH2:34]/[CH:35]=[CH:36]\[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][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][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46]/[CH:44]=[CH:42]\[CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][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][CH2:9][CH2:6][CH3:3])[OH:79] |
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