BCL

BACTERIOCHLOROPHYLL A

Created: 1999-07-08
Last modified:  2023-09-23

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Chemical Details

Formal Charge0
Atom Count140
Chiral Atom Count7
Bond Count148
Aromatic Bond Count5
2D diagram of BCL

Chemical Component Summary

NameBACTERIOCHLOROPHYLL A
FormulaC55 H74 Mg N4 O6
Molecular Weight911.504
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385[Mg++].CC[CH]1[CH](C)C2=Cc3[n-]c(C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[CH]5C(=O)OC)C)c(C)c3C(C)=O
SMILESOpenEye OEToolkits2.0.7CCC1C(C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C
Canonical SMILESCACTVS3.385 [Mg++].CC[C@@H]1[C@@H](C)C2=Cc3[n-]c(C=C4N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[C@@H]5C(=O)OC)C)c(C)c3C(C)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C
InChIInChI1.06 InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1
InChIKeyInChI1.06 DSJXIQQMORJERS-AGGZHOMASA-M

Drug Info: DrugBank

DrugBank IDDB01853 
NameBacteriochlorophyll A
Groups experimental
DescriptionA specific bacteriochlorophyll that is similar in structure to CHLOROPHYLL A.
Synonyms
  • Bacteriochlorophyll A
  • Bacterio-chlorophyll A
Categories
  • Amino Acids, Peptides, and Proteins
  • Bacteriochlorophylls
  • Heterocyclic Compounds, Fused-Ring
  • Photoreceptors, Microbial
  • Proteins
CAS number17499-98-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Bacteriochlorophyll a proteinALFGTKDTTTAHSDYEIILEGGSSSWGQVKGRAKVNVPAAIPLLPTDCNI...unknown
Bacteriochlorophyll a proteinMALFGSNDVTTAHSDYEIVLEGGSSSWGKVKARAKVNAPPASPLLPADCD...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 11953947, 16057436