MIS

MONOISOPROPYLPHOSPHORYLSERINE

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count2
Bond Count27
Aromatic Bond Count0
2D diagram of MIS
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Chemical Component Summary

NameMONOISOPROPYLPHOSPHORYLSERINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-(hydroxy-propan-2-yloxy-phosphoryl)oxy-propanoic acid
FormulaC6 H14 N O6 P
Molecular Weight227.152
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(OCC(N)C(=O)O)(OC(C)C)O
SMILESCACTVS3.341CC(C)O[P](O)(=O)OC[CH](N)C(O)=O
SMILESOpenEye OEToolkits1.5.0CC(C)OP(=O)(O)OCC(C(=O)O)N
Canonical SMILESCACTVS3.341 CC(C)O[P@@](O)(=O)OC[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)O[P@](=O)(O)OC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C6H14NO6P/c1-4(2)13-14(10,11)12-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKeyInChI1.03 DALHHSOTZKMXMV-YFKPBYRVSA-N

Drug Info: DrugBank

DrugBank IDDB01805 
NameMonoisopropylphosphorylserine
Groups experimental
SynonymsMonoisopropylphosphorylserine

Drug Targets

NameTarget SequencePharmacological ActionActions
Trypsin-2MNLLLILTFVAAAVAAPFDDDDKIVGGYICEENSVPYQVSLNSGYHFCGG...unknown
Subtilisin BPN'MRGKKVWISLLFALALIFTMAFGSTSSAQAAGKSNGEKKYIVGFKQTMST...unknown
Trypsin-1MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGG...unknown
AcetylcholinesteraseMRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...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 17754078