Bacteriopheophytin

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Description

Bacteriopheophytin, a photosynthetic pigment, is a bacterial demagnetised chlorophyll composed of bacterial chlorophyll in which two hydrogen atoms replace the magnesium center. Bacteriopheophytin acts as an electron acceptor in the purple bacterial reaction center (RC) and is involved in electron transfer[1].

CAS Number

17453-58-6

UNSPSC

12352005

Hazard Statement

H302-H315-H319

Target

Bacterial

Type

Natural Products

Related Pathways

Anti-infection

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/bacteriopheophytin.html

Solubility

10 mM in DMSO

Smiles

COC([C@@H]1/C2=C([C@H]([C@@H]3C)CCC(OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=O)/N=C3/C=C(C(C)=C/4C(C)=O)\NC4=C/C5=N/C([C@@H]([C@H]5C)CC)=C\C6=C(C)C(C1=O)=C2N6)=O

Molecular Formula

C55H76N4O6

Molecular Weight

889.22

Precautions

P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501

References & Citations

[1]Jingyi Zhu, et al. Early bacteriopheophytin reduction in charge separation in reaction centers of Rhodobacter sphaeroides. Biophys J. 2013 Jun 4;104 (11) :2493-502.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Bacteriopheophytin

Bacteriopheophytin a is a bacteriopheophytin consisting of bacteriochlorophyll a with two hydrogen atoms replacing the magnesium centre. It is a methyl ester and a bacteriopheophytin.

CAS Number	17453-58-6
PubChem CID	5281890
IUPAC Name	methyl (3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaene-3-carboxylate
Molecular Formula	C55H76N4O6
Molecular Weight	889.2
XLogP	13.5
Topological Polar Surface Area	144
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	22
Heavy Atom Count	65
Formal Charge	0
Complexity	1630

SMILES

CC[C@@H]1[C@H](C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C5=C6C(=C(C(=CC1=N2)N6)C)C(=O)[C@@H]5C(=O)OC)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C

InChI

InChI=1S/C55H76N4O6/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/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29?,42-27?,43-27?,44-28?,45-28?,46-29?,52-50?/t31-,32-,34-,35+,39-,40+,51-/m1/s1

InChIKey

KWOZSBGNAHVCKG-WFDCHTCOSA-N

Chemical Structure

2D Structure

CAS: 17453-58-6

CID: 5281890

Formula: C55H76N4O6

MW: 889.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	889.2
XLogP3	13.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	22
Exact Mass	888.57648616
Monoisotopic Mass	888.57648616
Topological Polar Surface Area	144 Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	1630
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5824576	Bacteriopheophytin

Bacteriopheophytin

Chemical Information

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