BCL

BACTERIOCHLOROPHYLL A

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

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207 entries where BCL is found as a standalone ligand4 entries where BCL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	140
Chiral Atom Count	7
Bond Count	148
Aromatic Bond Count	5

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Chemical Component Summary
Name	BACTERIOCHLOROPHYLL A
Formula	C₅₅ H₇₄ Mg N₄ O₆
Molecular Weight	911.504
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[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
SMILES	OpenEye OEToolkits	2.0.7	CCC1C(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 SMILES	CACTVS	3.385	[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 SMILES	OpenEye OEToolkits	2.0.7	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
InChI	InChI	1.06	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
InChIKey	InChI	1.06	DSJXIQQMORJERS-AGGZHOMASA-M

Drug Info: DrugBank

DrugBank ID	DB01853
Name	Bacteriochlorophyll A
Groups	experimental
Description	A 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 number	17499-98-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Bacteriochlorophyll a protein	ALFGTKDTTTAHSDYEIILEGGSSSWGQVKGRAKVNVPAAIPLLPTDCNI...	unknown
Bacteriochlorophyll a protein	MALFGSNDVTTAHSDYEIVLEGGSSSWGKVKARAKVNAPPASPLLPADCD...	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