English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1EFM

Summary

Name:	[(2~{R})-1-[[(2~{S})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-nonanoyloxy-propan-2-yl] decanoate
Formula:	C25 H49 O10 P
Formal charge:	0
Formula weight:	540.624 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	[(2~{R})-1-[[(2~{S})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-nonanoyloxy-propan-2-yl] decanoate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C25H49O10P/c1-3-5-7-9-11-13-15-17-25(29)35-23(21-34-36(30,31)33-19-22(27)18-26)20-32-24(28)16-14-12-10-8-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,30,31)/t22-,23+/m0/s1
InChIKey	InChI	1.06	OPEOXRZNASBKOI-XZOQPEGZSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC)CO[P](O)(=O)OC[C@@H](O)CO
SMILES	CACTVS	3.385	CCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC)CO[P](O)(=O)OC[CH](O)CO
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC)COP(=O)(O)OC[C@H](CO)O
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COP(=O)(O)OCC(CO)O

247536

PDB entries from 2026-01-14

PDB statistics

PDBj update info

Contact PDBj

numon