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nocamycin I

Properties

Image

Occurences in reactions

MNX_ID

MNXM496765

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₆H₃₂NO₉

charge

-1

mass

502.20826

reference

chebi:141049

InChIKey

DTURANKMSHIDDI-GMYASLLUSA-M

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

SMILES

COC(=O)[C@H]1[C@@H](C)O[C@@]2(C)CC(=O)[C@H]3O[C@@]12O[C@H]([C@H](C)/C=C(C)/C=C/C([O-])=C1/C(=O)CNC1=O)[C@H]3C

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:141049 chebi:141049	nocamycin I (-)-nocamycin I(1-) (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 Antibiotic BU 2313B(1-) BU 2313B(1-) Bu-2313B(1-) 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[6.3.1.0(1,5)]dodecane-2-carboxylate nocamycin I(1-)
seed.compound:cpd34223 seedM:cpd34223	BU-2313B nocamycin I
kegg.compound:C22047 keggC:C22047	Nocamycin I
CHEBI:138066 chebi:138066	nocamycin I (-)-nocamycin I Antibiotic BU 2313B BU 2313B Bu-2313B methyl (1S,2S,3R,5S,8S,9R,10R)-10-[(2R,3E,5E,7E)-7-(2,4-dioxopyrrolidin-3-ylidene)-7-hydroxy-4-methylhepta-3,5-dien-2-yl]-3,5,9-trimethyl-7-oxo-4,11,12-trioxatricyclo[6.3.1.0(1,5)]dodecane-2-carboxylate methyl (2R,3S,3aS,5R,6R,7S,9aS)-5-[(2R,3E,5E,7E)-7-(2,4-dioxopyrrolidin-3-ylidene)-7-hydroxy-4-methylhepta-3,5-dien-2-yl]-2,6,9a-trimethyl-8-oxooctahydro-3a,7-epoxyfuro[3,2-b]oxocine-3-carboxylate
metacyc.compound:CPD-18224 metacycM:CPD-18224	nocamycin I BU-2313B
keggC:M_C22047 seedM:M_cpd34223	secondary/obsolete/fantasy identifier