GCR

GALLICHROME

Created:2000-02-16
Last modified:  2000-02-16

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Chemical Details

Formal Charge0
Atom Count95
Chiral Atom Count7
Bond Count100
Aromatic Bond Count0
2D diagram of GCR

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Chemical Component Summary

NameGALLICHROME
FormulaC28 H44 Ga N9 O13
Molecular Weight784.424
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.352CC1=O|[Ga]2|345|O=C(C)[N](CCC[CH]6NC(=O)[CH](CCC[N](O2)C(=O|3)C)NC(=O)[CH](CCC[N]1O4)NC(=O)CNC(=O)[CH](CO)NC(=O)CNC6=O)O5
SMILESOpenEye OEToolkits1.7.0CC1=O[Ga]2345O=C(N(O2)CCCC6C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN(O4)C(=O5)C)C(=O)N6)CO)C
Canonical SMILESCACTVS3.352 CC1=O|[Ga]2|345|O=C(C)[N@](CCC[C@@H]6NC(=O)[C@H](CCC[N@](O2)C(=O|3)C)NC(=O)[C@H](CCC[N@@]1O4)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC6=O)O5
Canonical SMILESOpenEye OEToolkits1.7.0 CC1=O[Ga]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C
InChIInChI1.02 InChI=1S/C28H44N9O13.Ga/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41;/h19-22,38H,4-15H2,1-3H3,(H,29,44)(H,30,45)(H,31,42)(H,32,43)(H,33,47)(H,34,46);/q-3;+3/t19-,20-,21-,22?;/m0./s1
InChIKeyInChI1.02 BEDMDXBTNSVNGS-GSJIPYROSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03436 
NameGallichrome
Groups experimental
SynonymsGallichrome
Categories
  • Amines
  • Amino Acids, Peptides, and Proteins
  • Gallium
  • Hydroxamic Acids
  • Hydroxy Acids

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Iron(3+)-hydroxamate-binding protein FhuDMSGLPLISRRRLLTAMALSPLLWQMNTAHAAAIDPNRIVALEWLPVELLL...unknownantagonist
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 49867025