| Properties | Image |
|---|
| MNX_ID | MNXM967465 |
 |
| reference | slm:000659850 |
| formula | C85H147NO9P |
| global charge | -1 |
| mol weight | 1358.083 |
| InChIKey | JVRVNHPBMOOPMD-IMFZSEONSA-M |
| InChI | InChI=1S/C85H148NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-41-43-44-46-48-50-52-54-56-58-61-64-67-70-73-76-84(88)92-80-82(81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-63-60-21-18-15-12-9-6-3)95-85(89)77-74-71-68-65-62-59-57-55-53-51-49-47-45-42-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,36-39,45,47,82H,4-7,9-10,12-15,18,21-23,28-29,34-35,40-44,46,48-81H2,1-3H3,(H,86,87)(H,90,91)/p-1/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,38-36-,39-37-,47-45-/t82-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H148NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-41-43-44-46-48-50-52-54-56-58-61-64-67-70-73-76-84(88)92-80-82(81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-63-60-21-18-15-12-9-6-3)95-85(89)77-74-71-68-65-62-59-57-55-53-51-49-47-45-42-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,30-33,36-39,45,47,82H,4-7,9-10,12-15,18,21-23,28-29,34-35,40-44,46,48-81H2,1-3H3,(H,86,87)(H,90,91)/b11-8-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,38-36-,39-37-,47-45-/t82-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34]/[CH:36]=[CH:38]\[CH2:40][CH2:41][CH2:43][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][CH2:73][CH2:76][C:84](=[O:88])[O:92][CH2:80][C@H:82]([CH2:81][O:94][P:96]([OH:90])(=[O:91])[O:93][CH2:79][CH2:78][N:86]=[C:83]([CH2:75][CH2:72][CH2:69][CH2:66][CH2:63][CH2:60][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:87])[O:95][C:85]([CH2:77][CH2:74][CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49]/[CH:47]=[CH:45]\[CH2:42]/[CH:39]=[CH:37]\[CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:89] |
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