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1-butanoyl-2-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM343573 Image of MNXM343573
referenceslm:000012591
formulaC40H72NO8P
global charge0
mol weight725.989
InChIKeyPEERQNGVJNLJIY-QTCXITBZSA-N
InChIInChI=1S/C40H72NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-40(43)49-38(36-46-39(42)32-7-2)37-48-50(44,45)47-35-34-41(3,4)5/h11-12,14-15,17-18,20-21,38H,6-10,13,16,19,22-37H2,1-5H3/b12-11-,15-14-,18-17-,21-20-/t38-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C40H72NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-40(43)49-38(36-46-39(42)32-7-2)37-48-50(44,45)47-35-34-41(3,4)5/h11-12,14-15,17-18,20-21,38H,6-10,13,16,19,22-37H2,1-5H3/b12-11-,15-14-,18-17-,21-20-/t38-/m1/s1 Image of MNXM343573
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]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][C:40](=[O:43])[O:49][C@H:38]([CH2:36][O:46][C:39]([CH2:32][CH2:7][CH3:2])=[O:42])[CH2:37][O:48][P:50](=[O:44])([O-:45])[O:47][CH2:35][CH2:34][N+:41]([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:000012591
slm:000012591
PEERQNGVJNLJIY-QTCXITBZSA-N
1-butanoyl-2-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-sn-glycero-3-phosphocholine
PC(4:0/28:4(13Z,16Z,19Z,22Z))
Phosphatidylcholine (4:0/28:4(13Z,16Z,19Z,22Z))