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PC(20:0/20:1(8Z))

PropertiesImage
MNX_IDMNXM69983 Image of MNXM69983
referencelipidmapsM:LMGP01011020
formulaC48H94NO8P
global charge0
mol weight844.253
InChIKeyBYMZDOWJDFJQNV-WXSKMGNBSA-N
InChIInChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h27,29,46H,6-26,28,30-45H2,1-5H3/b29-27-/t46-/m1/s1
SMILESCCCCCCCCCCC/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h27,29,46H,6-26,28,30-45H2,1-5H3/b29-27-/t46-/m1/s1 Image of MNXM69983
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:47](=[O:50])[O:54][CH2:44][C@H:46]([CH2:45][O:56][P:58](=[O:52])([O-:53])[O:55][CH2:43][CH2:42][N+:49]([CH3:3])([CH3:4])[CH3:5])[O:57][C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31]/[CH:29]=[CH:27]\[CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:51]
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:LMGP01011020
lipidmapsM:LMGP01011020
BYMZDOWJDFJQNV-WXSKMGNBSA-N
PC(20:0/20:1(8Z))
1-eicosanoyl-2-(8Z-eicosenoyl)-sn-glycero-3-phosphocholine
PC 40:1
PC(20:0/20:1)
PC(20:0_20:1)
PC(40:1)