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IGP

Summary
Name:INDOLE-3-GLYCEROL PHOSPHATE
Formula:C11 H14 N O6 P
Formal charge:0
Formula weight:287.206 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphate
OpenEye OEToolkits1.5.0[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(O)c2c1ccccc1nc2
SMILES_CANONICALCACTVS3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)c1c[nH]c2ccccc12
SMILESCACTVS3.341O[CH](CO[P](O)(O)=O)[CH](O)c1c[nH]c2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c[nH]2)C(C(COP(=O)(O)O)O)O
InChIInChI1.03InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1
InChIKeyInChI1.03NQEQTYPJSIEPHW-MNOVXSKESA-N

218853

PDB entries from 2024-04-24

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