| Properties | Image |
MNX_ID | MNXM216167 |
 |
reference | slm:000008893 |
formula | C72H122NO8P |
global charge | 0 |
mol weight | 1160.741 |
InChIKey | ZJIHEMRUWNPLEJ-XKEAZHPPSA-N |
InChI | InChI=1S/C72H122NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-57-59-61-63-65-72(75)81-70(69-80-82(76,77)79-67-66-73(3,4)5)68-78-71(74)64-62-60-58-56-54-52-50-48-46-44-42-40-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-33,35-36,40,42,70H,6-7,12-13,18-19,24-25,30-31,34,37-39,41,43-69H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,33-32-,36-35-,42-40-/t70-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C72H122NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-57-59-61-63-65-72(75)81-70(69-80-82(76,77)79-67-66-73(3,4)5)68-78-71(74)64-62-60-58-56-54-52-50-48-46-44-42-40-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-33,35-36,40,42,70H,6-7,12-13,18-19,24-25,30-31,34,37-39,41,43-69H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,33-32-,36-35-,42-40-/t70-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH: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][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:63][CH2:65][C:72](=[O:75])[O:81][C@H:70]([CH2:68][O:78][C:71]([CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:74])[CH2:69][O:80][P:82](=[O:76])([O-:77])[O:79][CH2:67][CH2:66][N+:73]([CH3:3])([CH3:4])[CH3:5] |
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