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

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Phe-Ser

	Properties	Image
MNX_ID	MNXM107702
reference	chebi:71032
formula	C₁₂H₁₆N₂O₄
global charge	0
mol weight	252.27
InChIKey	ROHDXJUFQVRDAV-UWVGGRQHSA-N
InChI	InChI=1S/C12H16N2O4/c13-9(6-8-4-2-1-3-5-8)11(16)14-10(7-15)12(17)18/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1
SMILES	N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C12H16N2O4/c13-9(6-8-4-2-1-3-5-8)11(16)14-10(7-15)12(17)18/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][C@@H:9]([C:11](=[N:14][C@@H:10]([CH2:7][OH:15])[C:12](=[O:17])[OH:18])[OH:16])[NH2:13])[CH:5]=[CH:3]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:71032 chebi:71032 ROHDXJUFQVRDAV-UWVGGRQHSA-N	Phe-Ser (2S)-2-{[(2S)-2-amino-3-phenylpropanoyl]amino}-3-hydroxypropanoic acid FS L-Phe-L-Ser L-phenylalanyl-L-serine Phenylalanylserine
metacyc.compound:CPD-20386 metacycM:CPD-20386 seed.compound:cpd31428 seedM:cpd31428 ROHDXJUFQVRDAV-UWVGGRQHSA-N	L-phenylalanyl-L-serine Phe-Ser
sabiork.compound:24597 sabiorkM:24597 ROHDXJUFQVRDAV-UWVGGRQHSA-N	Phe-Ser
hmdb:HMDB0029004 ROHDXJUFQVRDAV-UWVGGRQHSA-N	Phenylalanylserine (2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanoic acid F-S Dipeptide FS FS Dipeptide L-Phe-L-ser L-Phenylalanyl-L-serine N-L-Phenylalanyl-L-serine N-Phenylalanylserine Phe-ser Phenylalanine serine dipeptide Phenylalanine-serine dipeptide Phenylalanyl-serine
hmdb:HMDB29004 seedM:M_cpd31428	secondary/obsolete/fantasy identifier