| Properties | Image |
|---|
| MNX_ID | MNXM961495 |
 |
| reference | slm:000653880 |
| formula | C83H143NO9P |
| global charge | -1 |
| mol weight | 1330.029 |
| InChIKey | MYHZKHQSPQTQQN-AANRGAQBSA-M |
| InChI | InChI=1S/C83H144NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-40-41-42-43-44-45-47-49-51-54-57-60-63-66-69-72-75-83(87)93-80(78-90-82(86)74-71-68-65-62-59-56-53-50-48-46-33-31-29-26-23-20-17-14-11-8-5-2)79-92-94(88,89)91-77-76-84-81(85)73-70-67-64-61-58-55-52-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28-29,32-34,36-37,46,50,53,80H,4-6,8-9,11-15,18,22-23,27,30-31,35,38-45,47-49,51-52,54-79H2,1-3H3,(H,84,85)(H,88,89)/p-1/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,37-36-,46-33-,53-50-/t80-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C83H144NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-40-41-42-43-44-45-47-49-51-54-57-60-63-66-69-72-75-83(87)93-80(78-90-82(86)74-71-68-65-62-59-56-53-50-48-46-33-31-29-26-23-20-17-14-11-8-5-2)79-92-94(88,89)91-77-76-84-81(85)73-70-67-64-61-58-55-52-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-21,24-26,28-29,32-34,36-37,46,50,53,80H,4-6,8-9,11-15,18,22-23,27,30-31,35,38-45,47-49,51-52,54-79H2,1-3H3,(H,84,85)(H,88,89)/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,37-36-,46-33-,53-50-/t80-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:47][CH2:49][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][CH2:75][C:83](=[O:87])[O:93][C@H:80]([CH2:78][O:90][C:82]([CH2:74][CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56]/[CH:53]=[CH:50]\[CH2:48]/[CH:46]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:86])[CH2:79][O:92][P:94]([OH:88])(=[O:89])[O:91][CH2:77][CH2:76][N:84]=[C:81]([CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:27]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:85] |
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