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nocamycin I

PropertiesImage
MNX_IDMNXM496765 Image of MNXM496765
referencechebi:141049
formulaC26H32NO9
global charge-1
mol weight502.54
InChIKeyDTURANKMSHIDDI-GMYASLLUSA-M
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
SMILESCOC(=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
MNX internals
InChI (mnx)InChI=1/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)/b8-7+,12-9+,19-16+/t13-,14-,15-,20-,21-,22+,25+,26+/m1/s1 Image of MNXM496765
SMILES (mnx)[CH3:1][C:12](/[CH:7]=[CH:8]/[C:16](=[C:19]1/[C:18](=[O:30])[CH2:11][N:27]=[C:23]1[OH:31])[OH:28])=[CH:9]\[C@@H:13]([CH3:2])[C@@H:21]1[C@@H:14]([CH3:3])[C@H:22]2[C:17](=[O:29])[CH2:10][C@@:25]3([CH3:5])[C@@:26]([C@@H:20]([C:24](=[O:32])[O:33][CH3:6])[C@@H:15]([CH3:4])[O:34]3)([O:35]1)[O:36]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:141049
chebi:141049
DTURANKMSHIDDI-GMYASLLUSA-M 		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
DTURANKMSHIDDI-GMYASLLUSA-M 		BU-2313B
nocamycin I

kegg.compound:C22047
keggC:C22047
DTURANKMSHIDDI-GMYASLLUSA-N 		Nocamycin I

CHEBI:138066
chebi:138066
DTURANKMSHIDDI-GMYASLLUSA-N 		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
DTURANKMSHIDDI-GMYASLLUSA-M 		nocamycin I
BU-2313B

keggC:M_C22047
seedM:M_cpd34223 		secondary/obsolete/fantasy identifier