CHEBI:61720 - bacteriochlorophyll a(1−)

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ChEBI Name bacteriochlorophyll a(1−)
ChEBI ID CHEBI:61720
ChEBI ASCII Name bacteriochlorophyll a(1-)
Definition The cyclic tetrapyrrole anion that is bacteriochlorophyll a protonated to pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
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Formula C55H73MgN4O6
Net Charge -1
Average Mass 910.498
Monoisotopic Mass 909.53860
InChI InChI=1S/C55H74N4O6.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;/h25,27-32,34-35,39-40H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-2;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+;/m1./s1
InChIKey QOSUYSWYVJFCJO-VMLNTYRVSA-M
SMILES C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C
ChEBI Ontology
Outgoing bacteriochlorophyll a(1−) (CHEBI:61720) is a cyclic tetrapyrrole anion (CHEBI:58941)
bacteriochlorophyll a(1−) (CHEBI:61720) is conjugate base of bacteriochlorophyll a (CHEBI:30033)
Incoming bacteriochlorophyll a (CHEBI:30033) is conjugate acid of bacteriochlorophyll a(1−) (CHEBI:61720)
IUPAC Name
[methyl (3S,4S,13R,14R)-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(3−)-κ4N23,N24,N25,N26]magnesate(1−)
Synonym Source
bacteriochlorophyll a UniProt
Last Modified
07 January 2016