| Properties | Image |
MNX_ID | MNXM938120 |
 |
reference | slm:000630505 |
formula | C69H121NO9P |
global charge | -1 |
mol weight | 1139.699 |
InChIKey | ZGFKOCVBHIANPU-VYTXIPDASA-M |
InChI | InChI=1S/C69H122NO9P/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-43-45-48-51-54-57-60-68(72)76-64-66(79-69(73)61-58-55-52-49-46-44-41-24-22-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-18-15-12-9-6-3/h7,10,16-17,19-20,23-25,27-28,30-31,41,66H,4-6,8-9,11-15,18,21-22,26,29,32-40,42-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,19-16-,20-17-,25-23-,28-27-,31-30-,41-24-/t66-/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)CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C69H122NO9P/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-43-45-48-51-54-57-60-68(72)76-64-66(79-69(73)61-58-55-52-49-46-44-41-24-22-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-18-15-12-9-6-3/h7,10,16-17,19-20,23-25,27-28,30-31,41,66H,4-6,8-9,11-15,18,21-22,26,29,32-40,42-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,19-16-,20-17-,25-23-,28-27-,31-30-,41-24-/t66-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:43][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][C:68](=[O:72])[O:76][CH2:64][C@H:66]([CH2:65][O:78][P:80]([OH:74])(=[O:75])[O:77][CH2:63][CH2:62][N:70]=[C:67]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71])[O:79][C:69]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:44]/[CH:41]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:73] |
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