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VJ1

Summary
Name:2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
Formula:C34 H68 N O12 P
Formal charge:0
Formula weight:713.877 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
OpenEye OEToolkits2.0.7[(2~{R},3~{R},4~{R},5~{S},6~{R})-4-[(1~{R},3~{R})-1,3-bis(oxidanyl)tetradecoxy]-6-(hydroxymethyl)-5-oxidanyl-3-[[(3~{R})-3-oxidanyltetradecanoyl]amino]oxan-2-yl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(CC(CCCCCCCCCCC)O)NC1C(OP(O)(O)=O)OC(C(C1OC(CC(CCCCCCCCCCC)O)O)O)CO
InChIInChI1.03InChI=1S/C34H68NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,30-34,36-38,40-41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,30-,31-,32-,33-,34-/m1/s1
InChIKeyInChI1.03RDPULIULDSXGCA-LLJYFDCOSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCC[C@@H](O)C[C@H](O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[P](O)(O)=O)[C@@H]1NC(=O)C[C@H](O)CCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCC[CH](O)C[CH](O)O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(O)=O)[CH]1NC(=O)C[CH](O)CCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCC[C@H](C[C@H](O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCC(CC(O)OC1C(C(OC(C1O)CO)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)O

217705

PDB entries from 2024-03-27

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