CHEBI:30033 - bacteriochlorophyll a

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bacteriochlorophyll a
ChEBI ID CHEBI:30033
ChEBI ASCII Name bacteriochlorophyll a
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:22685, CHEBI:2974
Supplier Information
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Formulae C55H74MgN4O6
C55H74MgN4O6
Net Charge 0
Average Mass 911.50400
Monoisotopic Mass 910.54588
InChI 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 DSJXIQQMORJERS-AGGZHOMASA-M
SMILES CC[C@@H]1[C@@H](C)C2=Cc3c(C(C)=O)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31
Roles Classification
Biological Role(s): cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via porphyrins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bacteriochlorophyll a (CHEBI:30033) is a bacteriochlorophyll (CHEBI:38201)
bacteriochlorophyll a (CHEBI:30033) is a methyl ester (CHEBI:25248)
bacteriochlorophyll a (CHEBI:30033) is conjugate acid of bacteriochlorophyll a(1−) (CHEBI:61720)
Incoming bacteriochlorophyll a(1−) (CHEBI:61720) is conjugate base of bacteriochlorophyll a (CHEBI:30033)
IUPAC Name
[methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylatato(2−)-κ4N23,N24,N25,N26]magnesium
Synonyms Sources
Bacterio-chlorophyll a KEGG COMPOUND
BACTERIOCHLOROPHYLL A PDBeChem
bacteriochlorophyll a JCBN
Manual Xrefs Databases
BCL PDBeChem
C11242 KEGG COMPOUND
DB01853 DrugBank
MOL000001 COMe
View more database links
Registry Numbers Types Sources
1208938 Beilstein Registry Number Beilstein
1489014 Gmelin Registry Number Gmelin
17499-98-8 CAS Registry Number ChemIDplus
6048929 Beilstein Registry Number Beilstein
Last Modified
06 March 2015