| Properties | Image |
MNX_ID | MNXM959072 |
 |
reference | slm:000651457 |
formula | C71H113NO9P |
global charge | -1 |
mol weight | 1155.657 |
InChIKey | SXOCCEVWHAJPJQ-OBBWFVNQSA-M |
InChI | InChI=1S/C71H114NO9P/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-36-39-42-45-48-51-54-57-60-63-71(75)81-68(66-78-70(74)62-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)67-80-82(76,77)79-65-64-72-69(73)61-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32-33,35-36,40-41,43-44,49-50,52-53,68H,4-6,8-9,11-15,22-24,31,34,37-39,42,45-48,51,54-67H2,1-3H3,(H,72,73)(H,76,77)/p-1/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,33-32-,36-35-,43-40-,44-41-,52-49-,53-50-/t68-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC/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/C71H114NO9P/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-36-39-42-45-48-51-54-57-60-63-71(75)81-68(66-78-70(74)62-59-56-53-50-47-44-41-38-30-27-24-21-18-15-12-9-6-3)67-80-82(76,77)79-65-64-72-69(73)61-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32-33,35-36,40-41,43-44,49-50,52-53,68H,4-6,8-9,11-15,22-24,31,34,37-39,42,45-48,51,54-67H2,1-3H3,(H,72,73)(H,76,77)/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,33-32-,36-35-,43-40-,44-41-,52-49-,53-50-/t68-/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]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34]/[CH:35]=[CH:36]\[CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][C:71](=[O:75])[O:81][C@H:68]([CH2:66][O:78][C:70]([CH2:62][CH2:59][CH2:56]/[CH:53]=[CH:50]\[CH2:47]/[CH:44]=[CH:41]\[CH2:38]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:74])[CH2:67][O:80][P:82]([OH:76])(=[O:77])[O:79][CH2:65][CH2:64][N:72]=[C:69]([CH2:61][CH2:58][CH2:55]/[CH:52]=[CH:49]\[CH2:46]/[CH:43]=[CH:40]\[CH2:37]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:73] |
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