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

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Phomamide

	Properties	Image
MNX_ID	MNXM101797
reference	chebi:218115
formula	C₁₇H₂₂N₂O₄
global charge	0
mol weight	318.373
InChIKey	KRLKPTMEUFJHKD-GJZGRUSLSA-N
InChI	InChI=1S/C17H22N2O4/c1-11(2)7-8-23-13-5-3-12(4-6-13)9-14-16(21)19-15(10-20)17(22)18-14/h3-7,14-15,20H,8-10H2,1-2H3,(H,18,22)(H,19,21)/t14-,15-/m0/s1
SMILES	CC(C)=CCOC1=CC=C(C[C@@H]2NC(=O)[C@H](CO)NC2=O)C=C1

MNX internals

InChI (mnx)	InChI=1/C17H22N2O4/c1-11(2)7-8-23-13-5-3-12(4-6-13)9-14-16(21)19-15(10-20)17(22)18-14/h3-7,14-15,20H,8-10H2,1-2H3,(H,18,22)(H,19,21)/t14-,15-/m0/s1
SMILES (mnx)	[CH3:1][C:11]([CH3:2])=[CH:7][CH2:8][O:23][C:13]1=[CH:6][CH:4]=[C:12]([CH2:9][C@H:14]2[C:16]([OH:21])=[N:19][C@@H:15]([CH2:10][OH:20])[C:17]([OH:22])=[N:18]2)[CH:3]=[CH:5]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:218115 chebi:218115 KRLKPTMEUFJHKD-GJZGRUSLSA-N	Phomamide (3S,6S)-3-(hydroxymethyl)-6-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,5-dione
metacyc.compound:CPD-16654 metacycM:CPD-16654 seed.compound:cpd35671 seedM:cpd35671 KRLKPTMEUFJHKD-GJZGRUSLSA-N	phomamide
seedM:M_cpd35671	secondary/obsolete/fantasy identifier