CHEBI:58719 - primary fluorescent chlorophyll catabolite(2−)

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ChEBI Name primary fluorescent chlorophyll catabolite(2−)
ChEBI ID CHEBI:58719
ChEBI ASCII Name primary fluorescent chlorophyll catabolite(2-)
Definition Dianion of primary fluorescent chlorophyll catabolite.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C35H38N4O7
Net Charge -2
Average Mass 626.711
Monoisotopic Mass 626.27515
InChI InChI=1S/C35H40N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,14,17,21,23,36,38,43H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/p-2/b31-29-/t17-,21-,23?/m0/s1
InChIKey DNXSLNKKIZWDMR-LRYVNUGJSA-L
SMILES [H]C(=O)C1=C(C)C(CC)=C(CC2=C(C)C3=C(N2)\C(=C2/N=C(CC4NC(=O)C(C=C)=C4C)[C@@H](C)[C@@H]2CCC([O-])=O)C(C(=O)OC)=C3[O-])N1
ChEBI Ontology
Outgoing primary fluorescent chlorophyll catabolite(2−) (CHEBI:58719) is a carboxylic acid dianion (CHEBI:38716)
primary fluorescent chlorophyll catabolite(2−) (CHEBI:58719) is a linear tetrapyrrole anion (CHEBI:59252)
primary fluorescent chlorophyll catabolite(2−) (CHEBI:58719) is conjugate base of primary fluorescent chlorophyll catabolite(1−) (CHEBI:77670)
Incoming primary fluorescent chlorophyll catabolite(1−) (CHEBI:77670) is conjugate acid of primary fluorescent chlorophyll catabolite(2−) (CHEBI:58719)
IUPAC Name
3-[(2Z,3S,4S)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-2-{2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxidocyclopenta[b]pyrrol-6(1H)-ylidene}-4-methyl-3,4-dihydro-2H-pyrrol-3-yl]propanoate
Manual Xref Database
CPD-7064 MetaCyc
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Last Modified
29 March 2021