Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

84Q

Summary
Name:[(2S)-2-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate
Synonyms:1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine
Formula:C34 H68 N O8 P
Formal charge:0
Formula weight:649.879 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S})-2-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C34H68NO8P/c1-30(2)23-19-15-11-7-5-9-13-17-21-25-32(36)40-29-34(43-44(38,39)41-28-27-35)42-33(37)26-22-18-14-10-6-8-12-16-20-24-31(3)4/h30-31,34H,5-29,35H2,1-4H3,(H,38,39)/t34-/m0/s1
InChIKeyInChI1.03TWGQVFCVUIINRS-UMSFTDKQSA-N
SMILES_CANONICALCACTVS3.385CC(C)CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCC(C)C)O[P](O)(=O)OCCN
SMILESCACTVS3.385CC(C)CCCCCCCCCCCC(=O)OC[CH](OC(=O)CCCCCCCCCCCC(C)C)O[P](O)(=O)OCCN
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCC(C)C)OP(=O)(O)OCCN
SMILESOpenEye OEToolkits2.0.7CC(C)CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCC(C)C)OP(=O)(O)OCCN

227344

PDB entries from 2024-11-13

PDB statisticsPDBj update infoContact PDBjnumon