| Properties | Image |
|---|
| MNX_ID | MNXM938094 |
 |
| reference | slm:000630479 |
| formula | C91H157NO9P |
| global charge | -1 |
| mol weight | 1440.229 |
| InChIKey | DBDGVNKAXXSJKU-QFLNBCEDSA-M |
| InChI | InChI=1S/C91H158NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-43-44-46-48-50-52-54-56-58-60-62-65-68-71-74-77-80-83-91(95)101-88(87-100-102(96,97)99-85-84-92-89(93)81-78-75-72-69-66-63-24-21-18-15-12-9-6-3)86-98-90(94)82-79-76-73-70-67-64-61-59-57-55-53-51-49-47-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-40,43-44,88H,4-6,9,12-15,18,21-24,29-30,35-36,41-42,45-87H2,1-3H3,(H,92,93)(H,96,97)/p-1/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,39-37-,40-38-,44-43-/t88-/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)CCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C91H158NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-43-44-46-48-50-52-54-56-58-60-62-65-68-71-74-77-80-83-91(95)101-88(87-100-102(96,97)99-85-84-92-89(93)81-78-75-72-69-66-63-24-21-18-15-12-9-6-3)86-98-90(94)82-79-76-73-70-67-64-61-59-57-55-53-51-49-47-45-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-40,43-44,88H,4-6,9,12-15,18,21-24,29-30,35-36,41-42,45-87H2,1-3H3,(H,92,93)(H,96,97)/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,39-37-,40-38-,44-43-/t88-/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:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:37]=[CH:39]\[CH2:41]/[CH:43]=[CH:44]\[CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][CH2:62][CH2:65][CH2:68][CH2:71][CH2:74][CH2:77][CH2:80][CH2:83][C:91](=[O:95])[O:101][C@H:88]([CH2:86][O:98][C:90]([CH2:82][CH2:79][CH2:76][CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:94])[CH2:87][O:100][P:102]([OH:96])(=[O:97])[O:99][CH2:85][CH2:84][N:92]=[C:89]([CH2:81][CH2:78][CH2:75][CH2:72][CH2:69][CH2:66][CH2:63][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:93] |
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