| Properties | Image |
MNX_ID | MNXM70744 |
 |
reference | lipidmapsM:LMGP01011236 |
formula | C28H48NO8P |
global charge | 0 |
mol weight | 557.665 |
InChIKey | PCVXFMVFELOBDV-OJWHMCDOSA-N |
InChI | InChI=1S/C28H48NO8P/c1-6-8-10-11-12-13-14-15-16-17-19-21-28(31)37-26(24-34-27(30)20-18-9-7-2)25-36-38(32,33)35-23-22-29(3,4)5/h6-10,18,26H,1-2,11-17,19-25H2,3-5H3/b10-8+,18-9+/t26-/m1/s1 |
SMILES | C=C/C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)C/C=C/C=C)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C28H48NO8P/c1-6-8-10-11-12-13-14-15-16-17-19-21-28(31)37-26(24-34-27(30)20-18-9-7-2)25-36-38(32,33)35-23-22-29(3,4)5/h6-10,18,26H,1-2,11-17,19-25H2,3-5H3/b10-8+,18-9+/t26-/m1/s1 |
 |
SMILES (mnx) | [CH2:1]=[CH:6]/[CH:8]=[CH:10]/[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][CH2:21][C:28](=[O:31])[O:37][C@H:26]([CH2:24][O:34][C:27]([CH2:20]/[CH:18]=[CH:9]/[CH:7]=[CH2:2])=[O:30])[CH2:25][O:36][P:38](=[O:32])([O-:33])[O:35][CH2:23][CH2:22][N+:29]([CH3:3])([CH3:4])[CH3:5] |
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