| Properties | Image |
MNX_ID | MNXM217251 |
 |
reference | slm:000008967 |
formula | C60H110NO8P |
global charge | 0 |
mol weight | 1004.513 |
InChIKey | UCMXICXFYSQBAZ-VPSHQBNKSA-N |
InChI | InChI=1S/C60H110NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-29-30-31-33-34-36-38-40-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61(3,4)5)69-60(63)53-51-49-47-45-43-41-39-37-35-32-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,30-31,58H,6-13,15,17-19,24-25,27,29,32-57H2,1-5H3/b16-14-,22-20-,23-21-,28-26-,31-30-/t58-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C60H110NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-29-30-31-33-34-36-38-40-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61(3,4)5)69-60(63)53-51-49-47-45-43-41-39-37-35-32-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26,28,30-31,58H,6-13,15,17-19,24-25,27,29,32-57H2,1-5H3/b16-14-,22-20-,23-21-,28-26-,31-30-/t58-/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]\[CH2:24]/[CH:26]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:59](=[O:62])[O:66][CH2:56][C@H:58]([CH2:57][O:68][P:70](=[O:64])([O-:65])[O:67][CH2:55][CH2:54][N+:61]([CH3:3])([CH3:4])[CH3:5])[O:69][C:60]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:32][CH2:27][CH2:25]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:63] |
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