CHEBI:141048 - nocamycin E(2−)

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ChEBI Name nocamycin E(2−)
ChEBI ID CHEBI:141048
ChEBI ASCII Name nocamycin E(2-)
Definition A carboxylic acid dianion that is a dianion resulting from the deprotonation of the carboxy group and the enol group of nocamycin E. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
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Formula C25H29NO9
Net Charge -2
Average Mass 487.500
Monoisotopic Mass 487.18533
InChI InChI=1S/C25H31NO9/c1-11(6-7-15(27)18-17(29)10-26-22(18)30)8-12(2)20-13(3)21-16(28)9-24(5)25(34-20,35-21)19(23(31)32)14(4)33-24/h6-8,12-14,19-21,27H,9-10H2,1-5H3,(H,26,30)(H,31,32)/p-2/b7-6+,11-8+,18-15+/t12-,13-,14-,19-,20-,21+,24+,25+/m1/s1
InChIKey YDAVVQGHGNWHJN-QOYUFUAZSA-L
SMILES [C@]12([C@@H]([C@](O[C@]3(O1)[C@H]([C@H](O[C@]3(CC2=O)C)C)C([O-])=O)([C@H](C)/C=C(\C)/C=C/C(=C/4\C(NCC4=O)=O)/[O-])[H])C)[H]
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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ChEBI Ontology
Outgoing nocamycin E(2−) (CHEBI:141048) has role bacterial metabolite (CHEBI:76969)
nocamycin E(2−) (CHEBI:141048) is a carboxylic acid dianion (CHEBI:38716)
nocamycin E(2−) (CHEBI:141048) is conjugate base of nocamycin E (CHEBI:141187)
Incoming nocamycin E (CHEBI:141187) is conjugate acid of nocamycin E(2−) (CHEBI:141048)
IUPAC Name
(2R,3S,3aS,5R,6R,7S,9aS)-5-[(2R,3E,5E,7E)-7-(2,4-dioxopyrrolidin-3-ylidene)-4-methyl-7-oxidohepta-3,5-dien-2-yl]-2,6,9a-trimethyl-8-oxooctahydro-3a,7-epoxyfuro[3,2-b]oxocine-3-carboxylate
Synonyms Sources
(1S,2S,3R,5S,8S,9R,10R)-10-[(2R,3E,5E,7E)-7-(2,4-dioxopyrrolidin-3-ylidene)-4-methyl-7-oxidohepta-3,5-dien-2-yl]-3,5,9-trimethyl-7-oxo-4,11,12-trioxatricyclo[6.3.1.01,5]dodecane-2-carboxylate IUPAC
nocamycin E UniProt
Manual Xref Database
CPD-20546 MetaCyc
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Last Modified
26 February 2024