| Properties | Image |
MNX_ID | MNXM939142 |
 |
reference | slm:000631527 |
formula | C89H155NO9P |
global charge | -1 |
mol weight | 1414.191 |
InChIKey | HUWPRXXGLYLZHV-GILWPYMXSA-M |
InChI | InChI=1S/C89H156NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-68-71-74-77-80-88(92)96-84-86(85-98-100(94,95)97-83-82-90-87(91)79-76-73-70-67-18-15-12-9-6-3)99-89(93)81-78-75-72-69-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,23-26,29-32,35-38,86H,4-6,9,12-15,18,21-22,27-28,33-34,39-85H2,1-3H3,(H,90,91)(H,94,95)/p-1/b10-7-,11-8-,19-16-,20-17-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t86-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
InChI (mnx) | InChI=1/C89H156NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-68-71-74-77-80-88(92)96-84-86(85-98-100(94,95)97-83-82-90-87(91)79-76-73-70-67-18-15-12-9-6-3)99-89(93)81-78-75-72-69-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,23-26,29-32,35-38,86H,4-6,9,12-15,18,21-22,27-28,33-34,39-85H2,1-3H3,(H,90,91)(H,94,95)/b10-7-,11-8-,19-16-,20-17-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t86-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:63][CH2:65][CH2:68][CH2:71][CH2:74][CH2:77][CH2:80][C:88](=[O:92])[O:96][CH2:84][C@H:86]([CH2:85][O:98][P:100]([OH:94])(=[O:95])[O:97][CH2:83][CH2:82][N:90]=[C:87]([CH2:79][CH2:76][CH2:73][CH2:70][CH2:67][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:91])[O:99][C:89]([CH2:81][CH2:78][CH2:75][CH2:72][CH2:69][CH2:66][CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:93] |
|