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1-heneicosanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70314 Image of MNXM70314
referenceslm:000013026
formulaC47H92NO8P
global charge0
mol weight830.226
InChIKeyOJGSALACIHUTQV-ZXJDXLSOSA-N
InChIInChI=1S/C47H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-28-25-21-19-17-15-13-11-9-7-2/h21,25,45H,6-20,22-24,26-44H2,1-5H3/b25-21-/t45-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C47H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-28-25-21-19-17-15-13-11-9-7-2/h21,25,45H,6-20,22-24,26-44H2,1-5H3/b25-21-/t45-/m1/s1 Image of MNXM70314
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:46](=[O:49])[O:53][CH2:43][C@H:45]([CH2:44][O:55][P:57](=[O:51])([O-:52])[O:54][CH2:42][CH2:41][N+:48]([CH3:3])([CH3:4])[CH3:5])[O:56][C:47]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:25]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:50]
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

SLM:000013026
slm:000013026
OJGSALACIHUTQV-ZXJDXLSOSA-N
1-heneicosanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
PC(21:0/18:1(9Z))
Phosphatidylcholine (21:0/18:1(9Z))

lipidmaps:LMGP01011963
lipidmapsM:LMGP01011963
OJGSALACIHUTQV-ZXJDXLSOSA-N
PC(21:0/18:1(9Z))
1-heneicosanoyl-2-(9Z-octadecenoyl)-glycero-3-phosphocholine
PC 39:1
PC(18:1_21:0)
PC(39:1)