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1-icosyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70939 Image of MNXM70939
referencechebi:136381
formulaC46H90NO7P
global charge0
mol weight800.2
InChIKeyKSVCHPBKMOYADU-KDVWGDQKSA-N
InChIInChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h15,17,21,25,45H,6-14,16,18-20,22-24,26-44H2,1-5H3/b17-15-,25-21-/t45-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h15,17,21,25,45H,6-14,16,18-20,22-24,26-44H2,1-5H3/b17-15-,25-21-/t45-/m1/s1 Image of MNXM70939
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][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:41][O:51][CH2:43][C@H:45]([CH2:44][O:53][P:55](=[O:49])([O-:50])[O:52][CH2:42][CH2:40][N+:47]([CH3:3])([CH3:4])[CH3:5])[O:54][C:46]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27]/[CH:25]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:48]
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

CHEBI:136381
chebi:136381
KSVCHPBKMOYADU-KDVWGDQKSA-N 		1-icosyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
(2R)-3-(icosyloxy)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
1-arachidyl-2-linoleoyl-sn-glycero-3-phosphocholine
1-eicosyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphocholine
1-eicosyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
PC(O-20:0/18:2(9Z,12Z))

SLM:000028001
slm:000028001
KSVCHPBKMOYADU-KDVWGDQKSA-N 		1-O-eicosyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
1-eicosyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
PC(O-20:0/18:2(9Z,12Z))
Phosphatidylcholine (O-20:0/18:2(9Z,12Z))

lipidmaps:LMGP01020228
lipidmapsM:LMGP01020228
KSVCHPBKMOYADU-KDVWGDQKSA-N 		PC(O-20:0/18:2(9Z,12Z))
1-eicosyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphocholine
PC O-38:2
PC(O-20:0/18:2)
PC(O-38:2)