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BHX

Summary
Name:(2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid
Formula:C9 H15 O8 P
Formal charge:0
Formula weight:282.184 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid
OpenEye OEToolkits1.5.0(2S)-2-[(2-carboxyethyl-hydroxy-phosphoryl)methyl]pentanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)CC[C@H](C[P@](O)(=O)CCC(O)=O)C(O)=O
SMILESCACTVS3.341OC(=O)CC[CH](C[P](O)(=O)CCC(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CC(=O)O)[C@H](C[P@](=O)(CCC(=O)O)O)C(=O)O
SMILESOpenEye OEToolkits1.5.0C(CC(=O)O)C(CP(=O)(CCC(=O)O)O)C(=O)O
InChIInChI1.03InChI=1S/C9H15O8P/c10-7(11)2-1-6(9(14)15)5-18(16,17)4-3-8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t6-/m1/s1
InChIKeyInChI1.03GZNKYXXCKRYSFH-ZCFIWIBFSA-N

223532

数据于2024-08-07公开中

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