| Properties | Image |
MNX_ID | MNXM938738 |
 |
reference | slm:000631123 |
formula | C93H163NO9P |
global charge | -1 |
mol weight | 1470.299 |
InChIKey | AMLMAISJUNIUSL-XWOJASKUSA-M |
InChI | InChI=1S/C93H164NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-43-44-45-46-48-50-52-54-56-58-60-62-64-67-70-73-76-79-82-85-93(97)103-90(89-102-104(98,99)101-87-86-94-91(95)83-80-77-74-71-68-65-24-21-18-15-12-9-6-3)88-100-92(96)84-81-78-75-72-69-66-63-61-59-57-55-53-51-49-47-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,37-40,43-44,90H,4-7,9-10,12-15,18,21-24,29-30,35-36,41-42,45-89H2,1-3H3,(H,94,95)(H,98,99)/p-1/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,39-37-,40-38-,44-43-/t90-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C93H164NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-43-44-45-46-48-50-52-54-56-58-60-62-64-67-70-73-76-79-82-85-93(97)103-90(89-102-104(98,99)101-87-86-94-91(95)83-80-77-74-71-68-65-24-21-18-15-12-9-6-3)88-100-92(96)84-81-78-75-72-69-66-63-61-59-57-55-53-51-49-47-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,37-40,43-44,90H,4-7,9-10,12-15,18,21-24,29-30,35-36,41-42,45-89H2,1-3H3,(H,94,95)(H,98,99)/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,39-37-,40-38-,44-43-/t90-/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:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:37]=[CH:39]\[CH2:41]/[CH:43]=[CH:44]\[CH2:45][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][CH2:62][CH2:64][CH2:67][CH2:70][CH2:73][CH2:76][CH2:79][CH2:82][CH2:85][C:93](=[O:97])[O:103][C@H:90]([CH2:88][O:100][C:92]([CH2:84][CH2:81][CH2:78][CH2:75][CH2:72][CH2:69][CH2:66][CH2:63][CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][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:96])[CH2:89][O:102][P:104]([OH:98])(=[O:99])[O:101][CH2:87][CH2:86][N:94]=[C:91]([CH2:83][CH2:80][CH2:77][CH2:74][CH2:71][CH2:68][CH2:65][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:95] |
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