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1-decanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM345324 Image of MNXM345324
referenceslm:000012692
formulaC38H68NO8P
global charge0
mol weight697.935
InChIKeyIKXZMYZDEPBQDZ-YSAQOMMUSA-N
InChIInChI=1S/C38H68NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-13-11-9-7-2/h14-15,17-18,20-21,23,25,36H,6-13,16,19,22,24,26-35H2,1-5H3/b15-14-,18-17-,21-20-,25-23-/t36-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C38H68NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-13-11-9-7-2/h14-15,17-18,20-21,23,25,36H,6-13,16,19,22,24,26-35H2,1-5H3/b15-14-,18-17-,21-20-,25-23-/t36-/m1/s1 Image of MNXM345324
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:25]\[CH2:27][CH2:29][CH2:31][C:38](=[O:41])[O:47][C@H:36]([CH2:34][O:44][C:37]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:40])[CH2:35][O:46][P:48](=[O:42])([O-:43])[O:45][CH2:33][CH2:32][N+:39]([CH3:3])([CH3:4])[CH3:5]
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:000012692
slm:000012692
IKXZMYZDEPBQDZ-YSAQOMMUSA-N
1-decanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine
PC(10:0/20:4(5Z,8Z,11Z,14Z))
Phosphatidylcholine (10:0/20:4(5Z,8Z,11Z,14Z))