| Properties | Image |
MNX_ID | MNXM66584 |
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reference | lipidmapsM:LMGP10010268 |
formula | C40H69O8P |
global charge | 0 |
mol weight | 708.958 |
InChIKey | MKQUDAHREQNJKB-ORIMTMQRSA-N |
InChI | InChI=1S/C40H69O8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(42)48-38(37-47-49(43,44)45)36-46-39(41)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h11,13,16-19,21,23,27,29,38H,3-10,12,14-15,20,22,24-26,28,30-37H2,1-2H3,(H2,43,44,45)/b13-11-,18-16-,19-17-,23-21-,29-27-/t38-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)COP(=O)(O)O |
MNX internals
InChI (mnx) | InChI=1/C40H69O8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(42)48-38(37-47-49(43,44)45)36-46-39(41)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h11,13,16-19,21,23,27,29,38H,3-10,12,14-15,20,22,24-26,28,30-37H2,1-2H3,(H2,43,44,45)/b13-11-,18-16-,19-17-,23-21-,29-27-/t38-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][C:40](=[O:42])[O:48][C@H:38]([CH2:36][O:46][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:18]=[CH:16]\[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:41])[CH2:37][O:47][P:49]([OH:43])([OH:44])=[O:45] |
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