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CHEBI:141049 - nocamycin I(1−)

ChEBI IDCHEBI:141049
ChEBI Namenocamycin I(1−)
Stars
ASCII Namenocamycin I(1-)
DefinitionAn organic anion resulting from the deprotonation of the enol moiety of nocamycin I. The major species at pH 7.3.
Last Modified12 July 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H32NO9
Net Charge-1
Average Mass502.540
Monoisotopic Mass502.20826
SMILES[H][C@]1([C@H](C)/C=C(C)/C=C/C([O-])=C2/C(=O)CNC2=O)O[C@@]23O[C@]([H])(C(=O)C[C@]2(C)O[C@H](C)[C@@H]3C(=O)OC)[C@@H]1C
InChIInChI=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
InChIKeyDTURANKMSHIDDI-GMYASLLUSA-M
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
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-carboxylateIUPAC
Bu-2313B(1−)ChEBI
Antibiotic BU 2313B(1−)ChEBI
(−)-nocamycin I(1−)ChEBI
BU 2313B(1−)ChEBI
UniProt Name  Source
nocamycin IUniProt
Manual XrefsDatabases
CPD-18224MetaCyc
Citations