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PC(4:0/0:0)

PropertiesImage
MNX_IDMNXM70734 Image of MNXM70734
referencechebi:168614
formulaC12H26NO7P
global charge0
mol weight327.314
InChIKeyYOLSCEBOFNSEKU-LLVKDONJSA-N
InChIInChI=1S/C12H26NO7P/c1-5-6-12(15)18-9-11(14)10-20-21(16,17)19-8-7-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m1/s1
SMILESCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C12H26NO7P/c1-5-6-12(15)18-9-11(14)10-20-21(16,17)19-8-7-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m1/s1 Image of MNXM70734
SMILES (mnx)[CH3:1][CH2:5][CH2:6][C:12](=[O:15])[O:18][CH2:9][C@H:11]([CH2:10][O:20][P:21](=[O:16])([O-:17])[O:19][CH2:8][CH2:7][N+:13]([CH3:2])([CH3:3])[CH3:4])[OH:14]
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:168614
chebi:168614
YOLSCEBOFNSEKU-LLVKDONJSA-N 		PC(4:0/0:0)
[(2R)-3-butanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

SLM:000020760
slm:000020760
YOLSCEBOFNSEKU-LLVKDONJSA-N 		1-butanoyl-sn-glycero-3-phosphocholine
1-butyryl-sn-glycero-3-phosphocholine
PC(4:0/0:0)

lipidmaps:LMGP01050061
lipidmapsM:LMGP01050061
YOLSCEBOFNSEKU-LLVKDONJSA-N 		PC(4:0/0:0)
1-butyryl-sn-glycero-3-phosphocholine
LPC 4:0
LPC(4:0)