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1-(10Z,13Z,16Z-docosatrienoyl)-2-propionyl-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM185323 Image of MNXM185323
referenceslm:000030412
formulaC30H54NO8P
global charge0
mol weight587.735
InChIKeyFXOIQXPNLNIIAH-XENYOJSSSA-N
InChIInChI=1S/C30H54NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30(33)36-26-28(39-29(32)4-2)27-38-40(34,35)37-25-24-31/h8-9,11-12,14-15,28H,3-7,10,13,16-27,31H2,1-2H3,(H,34,35)/b9-8-,12-11-,15-14-/t28-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CC
MNX internals
InChI (mnx)InChI=1/C30H54NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30(33)36-26-28(39-29(32)4-2)27-38-40(34,35)37-25-24-31/h8-9,11-12,14-15,28H,3-7,10,13,16-27,31H2,1-2H3,(H,34,35)/b9-8-,12-11-,15-14-/t28-/m1/s1 Image of MNXM185323
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:30](=[O:33])[O:36][CH2:26][C@H:28]([CH2:27][O:38][P:40]([OH:34])(=[O:35])[O:37][CH2:25][CH2:24][NH2:31])[O:39][C:29]([CH2:4][CH3:2])=[O:32]
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:000030412
slm:000030412
FXOIQXPNLNIIAH-XENYOJSSSA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-propionyl-sn-glycero-3-phosphoethanolamine
PE(22:3(10Z,13Z,16Z)/3:0)
Phosphatidylethanolamine (22:3(10Z,13Z,16Z)/3:0)