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1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM32945 Image of MNXM32945
referencechebi:77890
formulaC29H56NO9P
global charge0
mol weight593.739
InChIKeyRKIDALSACBQVTN-HHHXNRCGSA-N
InChIInChI=1S/C29H56NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(32)36-25-27(39-29(33)21-18-19-23-31)26-38-40(34,35)37-24-22-30(2,3)4/h23,27H,5-22,24-26H2,1-4H3/t27-/m1/s1
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=O
MNX internals
InChI (mnx)InChI=1/C29H56NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(32)36-25-27(39-29(33)21-18-19-23-31)26-38-40(34,35)37-24-22-30(2,3)4/h23,27H,5-22,24-26H2,1-4H3/t27-/m1/s1 Image of MNXM32945
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][C:28](=[O:32])[O:36][CH2:25][C@H:27]([CH2:26][O:38][P:40](=[O:34])([O-:35])[O:37][CH2:24][CH2:22][N+:30]([CH3:2])([CH3:3])[CH3:4])[O:39][C:29]([CH2:21][CH2:18][CH2:19][CH:23]=[O:31])=[O:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77890
chebi:77890
RKIDALSACBQVTN-HHHXNRCGSA-N 		1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine
(2R)-2-[(5-oxopentanoyl)oxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
(2R)-3-(hexadecanoyloxy)-2-[(5-oxopentanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
1-Palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphorylcholine
1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine zwitterion
1-hexadecanoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphocholine
PC(16:0/5:0(CHO))
POVPC

SLM:000389473
slm:000389473
RKIDALSACBQVTN-HHHXNRCGSA-N 		1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine

CHEBI:60319
chebi:60319
RKIDALSACBQVTN-HHHXNRCGSA-O 		1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine(1+)
(7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(5-oxopentanoyl)oxy]-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide
1-palmitoyl-2-(5-oxopentanoyl)-sn-glycero-3-PC
1-palmitoyl-2-(5-oxovaleryl)-sn-glycero-3-PC
POVPC

sabiork.compound:30948
sabiorkM:30948
RKIDALSACBQVTN-HHHXNRCGSA-N 		1-Palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphatidylcholine
1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
POVPC

lipidmaps:LMGP20010005
lipidmapsM:LMGP20010005
RKIDALSACBQVTN-HHHXNRCGSA-N 		PC 16:0/5:0
1-Palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphorylcholine
1-hexadecanoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphocholine
5oxo
O
PC 21:1
PC(16:0/5:0(CHO))
POVPC