| Properties | Image |
MNX_ID | MNXM190514 |
 |
reference | slm:000491027 |
formula | C64H116NO8P |
global charge | 0 |
mol weight | 1058.605 |
InChIKey | FMAWFEGKOGKYCO-XSMXKQFXSA-N |
InChI | InChI=1S/C64H116NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-57-64(67)73-62(61-72-74(68,69)71-59-58-65(3,4)5)60-70-63(66)56-54-52-50-48-46-44-42-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,27-28,30-31,62H,6-13,15,18,21,23,26,29,32-61H2,1-5H3/b16-14-,19-17+,22-20-,25-24-,28-27-,31-30-/t62-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C64H116NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-57-64(67)73-62(61-72-74(68,69)71-59-58-65(3,4)5)60-70-63(66)56-54-52-50-48-46-44-42-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,27-28,30-31,62H,6-13,15,18,21,23,26,29,32-61H2,1-5H3/b16-14-,19-17+,22-20-,25-24-,28-27-,31-30-/t62-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[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][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][C:64](=[O:67])[O:73][C@H:62]([CH2:60][O:70][C:63]([CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:21]/[CH:19]=[CH:17]/[CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:66])[CH2:61][O:72][P:74](=[O:68])([O-:69])[O:71][CH2:59][CH2:58][N+:65]([CH3:3])([CH3:4])[CH3:5] |
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