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PC(20:0/11:0)

PropertiesImage
MNX_IDMNXM69956 Image of MNXM69956
referencelipidmapsM:LMGP01010996
formulaC39H78NO8P
global charge0
mol weight720.026
InChIKeyNLEPZIUGLKQAFD-DIPNUNPCSA-N
InChIInChI=1S/C39H78NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-26-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-25-15-13-11-9-7-2/h37H,6-36H2,1-5H3/t37-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C39H78NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-26-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-25-15-13-11-9-7-2/h37H,6-36H2,1-5H3/t37-/m1/s1 Image of MNXM69956
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][C:38](=[O:41])[O:45][CH2:35][C@H:37]([CH2:36][O:47][P:49](=[O:43])([O-:44])[O:46][CH2:34][CH2:33][N+:40]([CH3:3])([CH3:4])[CH3:5])[O:48][C:39]([CH2:32][CH2:30][CH2:28][CH2:25][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMGP01010996
lipidmapsM:LMGP01010996
NLEPZIUGLKQAFD-DIPNUNPCSA-N
PC(20:0/11:0)
1-eicosanoyl-2-undecanoyl-sn-glycero-3-phosphocholine
PC 31:0
PC(11:0_20:0)
PC(31:0)