| Properties | Image |
|---|
| MNX_ID | MNXM939181 |
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| reference | slm:000631566 |
| formula | C71H117NO9P |
| global charge | -1 |
| mol weight | 1159.689 |
| InChIKey | WGQMHULHKBNFFF-XIHSIXTJSA-M |
| InChI | InChI=1S/C71H118NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-59-62-70(74)78-66-68(67-80-82(76,77)79-65-64-72-69(73)61-58-9-6-3)81-71(75)63-60-57-55-53-51-49-47-45-43-40-27-25-23-21-19-17-15-13-11-8-5-2/h7-8,10-11,14-17,20-23,26-28,30-31,40,45,47,51,53,68H,4-6,9,12-13,18-19,24-25,29,32-39,41-44,46,48-50,52,54-67H2,1-3H3,(H,72,73)(H,76,77)/p-1/b10-7-,11-8-,16-14-,17-15-,22-20-,23-21-,28-26-,31-30-,40-27-,47-45-,53-51-/t68-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H118NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-59-62-70(74)78-66-68(67-80-82(76,77)79-65-64-72-69(73)61-58-9-6-3)81-71(75)63-60-57-55-53-51-49-47-45-43-40-27-25-23-21-19-17-15-13-11-8-5-2/h7-8,10-11,14-17,20-23,26-28,30-31,40,45,47,51,53,68H,4-6,9,12-13,18-19,24-25,29,32-39,41-44,46,48-50,52,54-67H2,1-3H3,(H,72,73)(H,76,77)/b10-7-,11-8-,16-14-,17-15-,22-20-,23-21-,28-26-,31-30-,40-27-,47-45-,53-51-/t68-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:59][CH2:62][C:70](=[O:74])[O:78][CH2:66][C@H:68]([CH2:67][O:80][P:82]([OH:76])(=[O:77])[O:79][CH2:65][CH2:64][N:72]=[C:69]([CH2:61][CH2:58][CH2:9][CH2:6][CH3:3])[OH:73])[O:81][C:71]([CH2:63][CH2:60][CH2:57][CH2:55]/[CH:53]=[CH:51]\[CH2:49]/[CH:47]=[CH:45]\[CH2:43]/[CH:40]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:75] |
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