| Properties | Image |
MNX_ID | MNXM347066 |
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reference | slm:000012767 |
formula | C68H128NO8P |
global charge | 0 |
mol weight | 1118.745 |
InChIKey | MIFGHPRTLTUERS-GHWFOWJVSA-N |
InChI | InChI=1S/C68H128NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-57-59-61-68(71)77-66(65-76-78(72,73)75-63-62-69(3,4)5)64-74-67(70)60-58-56-54-52-50-48-46-44-42-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26-27,29-30,66H,6-13,15,17-19,21,23-25,28,31-65H2,1-5H3/b16-14-,22-20-,27-26-,30-29-/t66-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C68H128NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-57-59-61-68(71)77-66(65-76-78(72,73)75-63-62-69(3,4)5)64-74-67(70)60-58-56-54-52-50-48-46-44-42-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26-27,29-30,66H,6-13,15,17-19,21,23-25,28,31-65H2,1-5H3/b16-14-,22-20-,27-26-,30-29-/t66-/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:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][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][CH2:59][CH2:61][C:68](=[O:71])[O:77][C@H:66]([CH2:64][O:74][C:67]([CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:70])[CH2:65][O:76][P:78](=[O:72])([O-:73])[O:75][CH2:63][CH2:62][N+:69]([CH3:3])([CH3:4])[CH3:5] |
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