| Properties | Image |
MNX_ID | MNXM326220 |
 |
reference | slm:000490928 |
formula | C58H102NO8P |
global charge | 0 |
mol weight | 972.427 |
InChIKey | JXUUPOXAHDATPX-QHIUNJAPSA-N |
InChI | InChI=1S/C58H102NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-51-58(61)67-56(55-66-68(62,63)65-53-52-59(3,4)5)54-64-57(60)50-48-46-44-42-40-38-36-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-25,27-28,30-31,36,56H,6-13,18-19,23,26,29,32-35,37-55H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,28-27-,31-30-,36-21-/t56-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C58H102NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-51-58(61)67-56(55-66-68(62,63)65-53-52-59(3,4)5)54-64-57(60)50-48-46-44-42-40-38-36-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-25,27-28,30-31,36,56H,6-13,18-19,23,26,29,32-35,37-55H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,28-27-,31-30-,36-21-/t56-/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][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:58](=[O:61])[O:67][C@H:56]([CH2:54][O:64][C:57]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38]/[CH:36]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:60])[CH2:55][O:66][P:68](=[O:62])([O-:63])[O:65][CH2:53][CH2:52][N+:59]([CH3:3])([CH3:4])[CH3:5] |
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