| Properties | Image |
MNX_ID | MNXM957360 |
 |
reference | slm:000649745 |
formula | C59H101NO9P |
global charge | -1 |
mol weight | 999.429 |
InChIKey | CFXNQQKVSPFLTL-YBDIJJKHSA-M |
InChI | InChI=1S/C59H102NO9P/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-58(62)66-54-56(69-59(63)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)55-68-70(64,65)67-53-52-60-57(61)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,36,39,56H,4-7,9-10,12-15,18,21-24,28,31-32,34-35,37-38,40-55H2,1-3H3,(H,60,61)(H,64,65)/p-1/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,39-36-/t56-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C59H102NO9P/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-58(62)66-54-56(69-59(63)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)55-68-70(64,65)67-53-52-60-57(61)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,36,39,56H,4-7,9-10,12-15,18,21-24,28,31-32,34-35,37-38,40-55H2,1-3H3,(H,60,61)(H,64,65)/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-,39-36-/t56-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:30]=[CH:33]\[CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:58](=[O:62])[O:66][CH2:54][C@H:56]([CH2:55][O:68][P:70]([OH:64])(=[O:65])[O:67][CH2:53][CH2:52][N:60]=[C:57]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:61])[O:69][C:59]([CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:31][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63] |
|