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CHEBI:77670 - primary fluorescent chlorophyll catabolite(1−)

ChEBI IDCHEBI:77670
ChEBI Nameprimary fluorescent chlorophyll catabolite(1−)
Stars
ASCII Nameprimary fluorescent chlorophyll catabolite(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of primary fluorescent chlorophyll catabolite resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified29 March 2021
SubmitterKAX
DownloadsMolfile
FormulaC35H39N4O7
Net Charge-1
Average Mass627.718
Monoisotopic Mass627.28242
SMILES[H]C(=O)c1nc(Cc2nc3c(c2C)C(=O)[C@H](C(=O)OC)/C3=C2/N=C(CC3NC(=O)C(C=C)=C3C)[C@@H](C)[C@@H]2CCC(=O)[O-])c(CC)c1C
InChIInChI=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/h9,14,17,21,23,30,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/p-1/b31-29-/t17-,21-,23?,30+/m0/s1
InChIKeyULSSSZOYSMVFIJ-NPQUFKRBSA-M
ChEBI Ontology
Outgoing Relation(s)
primary fluorescent chlorophyll catabolite(1−) (CHEBI:77670) is a linear tetrapyrrole anion (CHEBI:59252)
primary fluorescent chlorophyll catabolite(1−) (CHEBI:77670) is a monocarboxylic acid anion (CHEBI:35757)
primary fluorescent chlorophyll catabolite(1−) (CHEBI:77670) is conjugate acid of primary fluorescent chlorophyll catabolite(2−) (CHEBI:58719)
primary fluorescent chlorophyll catabolite(1−) (CHEBI:77670) is conjugate base of primary fluorescent chlorophyll catabolite (CHEBI:47951)
Incoming Relation(s)
primary fluorescent chlorophyll catabolite (CHEBI:47951) is conjugate acid of primary fluorescent chlorophyll catabolite(1−) (CHEBI:77670)
primary fluorescent chlorophyll catabolite(2−) (CHEBI:58719) is conjugate base of primary fluorescent chlorophyll catabolite(1−) (CHEBI:77670)
IUPAC Name 
3-{(2Z,3S,4S)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoate
UniProt Name  Source
primary fluorescent chlorophyll cataboliteUniProt