CHEBI:141049 - nocamycin I(1−)

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ChEBI Name nocamycin I(1−)
ChEBI ID CHEBI:141049
ChEBI ASCII Name nocamycin I(1-)
Definition An organic anion resulting from the deprotonation of the enol moiety of nocamycin I. 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 C26H32NO9
Net Charge -1
Average Mass 502.535
Monoisotopic Mass 502.20826
InChI InChI=1S/C26H33NO9/c1-12(7-8-16(28)19-18(30)11-27-23(19)31)9-13(2)21-14(3)22-17(29)10-25(5)26(35-21,36-22)20(15(4)34-25)24(32)33-6/h7-9,13-15,20-22,28H,10-11H2,1-6H3,(H,27,31)/p-1/b8-7+,12-9+,19-16+/t13-,14-,15-,20-,21-,22+,25+,26+/m1/s1
InChIKey DTURANKMSHIDDI-GMYASLLUSA-M
SMILES [C@]12([C@@H]([C@](O[C@]3(O1)[C@H]([C@H](O[C@]3(CC2=O)C)C)C(=O)OC)([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 I(1−) (CHEBI:141049) has role bacterial metabolite (CHEBI:76969)
nocamycin I(1−) (CHEBI:141049) is a organic anion (CHEBI:25696)
nocamycin I(1−) (CHEBI:141049) is conjugate base of nocamycin I (CHEBI:138066)
Incoming nocamycin I (CHEBI:138066) is conjugate acid of nocamycin I(1−) (CHEBI:141049)
IUPAC Name
(1E,2E,4E,6R)-1-(2,4-dioxopyrrolidin-3-ylidene)-6-[(2R,3S,3aS,5R,6R,7S,9aS)-3-(methoxycarbonyl)-2,6,9a-trimethyl-8-oxooctahydro-3a,7-epoxyfuro[3,2-b]oxocin-5-yl]-4-methylhepta-2,4-dien-1-olate
Synonyms Sources
(−)-nocamycin I(1−) ChEBI
Antibiotic BU 2313B(1−) ChEBI
BU 2313B(1−) ChEBI
Bu-2313B(1−) ChEBI
methyl (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 I UniProt
Manual Xref Database
CPD-18224 MetaCyc
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Citations Waiting for Citations Types Sources
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6920296 PubMed citation Europe PMC
Last Modified
12 July 2018