| Properties | Image |
MNX_ID | MNXM66963 |
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reference | lipidmapsM:LMGP10010574 |
formula | C42H77O8P |
global charge | 0 |
mol weight | 741.044 |
InChIKey | DZTMMTWKMXSDPQ-ASFARBJBSA-N |
InChI | InChI=1S/C42H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-41(43)48-38-40(39-49-51(45,46)47)50-42(44)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22,40H,3-10,12,14-16,18,21,23-39H2,1-2H3,(H2,45,46,47)/b13-11-,19-17-,22-20-/t40-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C42H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-41(43)48-38-40(39-49-51(45,46)47)50-42(44)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22,40H,3-10,12,14-16,18,21,23-39H2,1-2H3,(H2,45,46,47)/b13-11-,19-17-,22-20-/t40-/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]\[CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:41](=[O:43])[O:48][CH2:38][C@H:40]([CH2:39][O:49][P:51]([OH:45])([OH:46])=[O:47])[O:50][C:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:22]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44] |
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