MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

bifenthrin

	Properties	Image
MNX_ID	MNXM736203
reference	chebi:3093
formula	C₂₃H₂₂ClF₃O₂
global charge	0
mol weight	422.874
InChIKey	OMFRMAHOUUJSGP-IRHGGOMRSA-N
InChI	InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1
SMILES	CC1=C(C2=CC=CC=C2)C=CC=C1COC(=O)[C@@H]1[C@H](/C=C(\Cl)C(F)(F)F)C1(C)C

MNX internals

InChI (mnx)	InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1
SMILES (mnx)	[CH3:1][C:14]1=[C:16]([CH2:13][O:29][C:21]([C@@H:20]2[C@H:18](/[CH:12]=[C:19](/[C:23]([F:25])([F:26])[F:27])[Cl:24])[C:22]2([CH3:2])[CH3:3])=[O:28])[CH:10]=[CH:7][CH:11]=[C:17]1[C:15]1=[CH:8][CH:5]=[CH:4][CH:6]=[CH:9]1

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
Identifier	Description
CHEBI:3093 chebi:3093 OMFRMAHOUUJSGP-IRHGGOMRSA-N	bifenthrin (2-methyl-[1,1'-biphenyl]-3-yl)methyl rel-(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate Bifenthrin Biphenthrin
sabiork.compound:13061 sabiorkM:13061 OMFRMAHOUUJSGP-IRHGGOMRSA-N	Bifenthrin
metacyc.compound:CPD-22549 metacycM:CPD-22549 OMFRMAHOUUJSGP-IRHGGOMRSA-N	bifenthrin
CHEBI:87579 chebi:87579 OMFRMAHOUUJSGP-IRHGGOMRSA-N	kappa-bifenthrin (+)-(1R)-cis-Bifenthrin (1R)-cis-Bifenthrin (2-methyl-[1,1'-biphenyl]-3-yl)methyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate (R)-Bifenthrin kappa-Bifenthrin kappa-Bifenthrine