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VVA

Summary
Name:2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate
Formula:C21 H44 N O6 P
Formal charge:0
Formula weight:437.551 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate
OpenEye OEToolkits2.0.42-[2-azanylethoxy(oxidanyl)phosphoryl]oxyethyl heptadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OCCN)(O)OCCOC(CCCCCCCCCCCCCCCC)=O
InChIInChI1.03InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)26-19-20-28-29(24,25)27-18-17-22/h2-20,22H2,1H3,(H,24,25)
InChIKeyInChI1.03KBKQEKNZSDBGFI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCCC(=O)OCCO[P](O)(=O)OCCN
SMILESCACTVS3.385CCCCCCCCCCCCCCCCC(=O)OCCO[P](O)(=O)OCCN
SMILES_CANONICALOpenEye OEToolkits2.0.4CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN
SMILESOpenEye OEToolkits2.0.4CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN

224931

PDB entries from 2024-09-11

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