| Properties | Image |
MNX_ID | MNXM938649 |
 |
reference | slm:000631034 |
formula | C64H115NO9P |
global charge | -1 |
mol weight | 1073.596 |
InChIKey | ZGXJOMDPKRSKHJ-YFIBECMPSA-M |
InChI | InChI=1S/C64H116NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-47-49-52-55-63(67)71-59-61(60-73-75(69,70)72-58-57-65-62(66)54-51-9-6-3)74-64(68)56-53-50-48-46-44-42-39-23-21-19-17-15-13-11-8-5-2/h7,10,14,16,20,22,25-26,28-29,61H,4-6,8-9,11-13,15,17-19,21,23-24,27,30-60H2,1-3H3,(H,65,66)(H,69,70)/p-1/b10-7-,16-14-,22-20-,26-25-,29-28-/t61-/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)CCCCC)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C64H116NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-47-49-52-55-63(67)71-59-61(60-73-75(69,70)72-58-57-65-62(66)54-51-9-6-3)74-64(68)56-53-50-48-46-44-42-39-23-21-19-17-15-13-11-8-5-2/h7,10,14,16,20,22,25-26,28-29,61H,4-6,8-9,11-13,15,17-19,21,23-24,27,30-60H2,1-3H3,(H,65,66)(H,69,70)/b10-7-,16-14-,22-20-,26-25-,29-28-/t61-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:52][CH2:55][C:63](=[O:67])[O:71][CH2:59][C@H:61]([CH2:60][O:73][P:75]([OH:69])(=[O:70])[O:72][CH2:58][CH2:57][N:65]=[C:62]([CH2:54][CH2:51][CH2:9][CH2:6][CH3:3])[OH:66])[O:74][C:64]([CH2:56][CH2:53][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:39][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68] |
|