137

1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE

Created: 2001-06-14
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count3
Bond Count41
Aromatic Bond Count6
2D diagram of 137
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Chemical Component Summary

Name1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE
Systematic Name (OpenEye OEToolkits)2-[[(2R,3S,4R)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]amino]benzoic acid
FormulaC12 H18 N O9 P
Molecular Weight351.246
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(O)C(O)CNc1ccccc1C(=O)O
SMILESCACTVS3.341O[CH](CNc1ccccc1C(O)=O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)O)NCC(C(C(COP(=O)(O)O)O)O)O
Canonical SMILESCACTVS3.341 O[C@H](CNc1ccccc1C(O)=O)[C@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
InChIInChI1.03 InChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/t9-,10-,11+/m1/s1
InChIKeyInChI1.03 AULMJMUNCOBRHC-MXWKQRLJSA-N

Drug Info: DrugBank

DrugBank IDDB03543 
Name1-(O-Carboxy-Phenylamino)-1-Deoxy-D-Ribulose-5-Phosphate
Groups experimental
Synonyms1-(O-Carboxy-Phenylamino)-1-Deoxy-D-Ribulose-5-Phosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
N-(5'-phosphoribosyl)anthranilate isomeraseMVRVKICGITNLEDALFSVESGADAVGFVFYPKSKRYISPEDARRISVEL...unknown
Tryptophan biosynthesis protein TrpCFMMQTVLAKIVADKAIWVEARKQQQPLASFQNEVQPSTRHFYDALQGARTA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 446446