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1-(8Z,11Z,14Z-eicosatrienoyl)-2-propionyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM306940 Image of MNXM306940
referenceslm:000011706
formulaC31H56NO8P
global charge0
mol weight601.762
InChIKeyLWYBGZQKLIKJQU-HAQQYRDFSA-N
InChIInChI=1S/C31H56NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(34)37-27-29(40-30(33)7-2)28-39-41(35,36)38-26-25-32(3,4)5/h11-12,14-15,17-18,29H,6-10,13,16,19-28H2,1-5H3/b12-11-,15-14-,18-17-/t29-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC
MNX internals
InChI (mnx)InChI=1/C31H56NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(34)37-27-29(40-30(33)7-2)28-39-41(35,36)38-26-25-32(3,4)5/h11-12,14-15,17-18,29H,6-10,13,16,19-28H2,1-5H3/b12-11-,15-14-,18-17-/t29-/m1/s1 Image of MNXM306940
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:31](=[O:34])[O:37][CH2:27][C@H:29]([CH2:28][O:39][P:41](=[O:35])([O-:36])[O:38][CH2:26][CH2:25][N+:32]([CH3:3])([CH3:4])[CH3:5])[O:40][C:30]([CH2:7][CH3:2])=[O:33]
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:000011706
slm:000011706
LWYBGZQKLIKJQU-HAQQYRDFSA-N
1-(8Z,11Z,14Z-eicosatrienoyl)-2-propionyl-sn-glycero-3-phosphocholine
PC(20:3(8Z,11Z,14Z)/3:0)
Phosphatidylcholine (20:3(8Z,11Z,14Z)/3:0)