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

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protirelin

	Properties	Image
MNX_ID	MNXM1100571
reference	chebi:35940
formula	C₁₆H₂₂N₆O₄
global charge	0
mol weight	362.39
InChIKey	XNSAINXGIQZQOO-SRVKXCTJSA-N
InChI	InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
SMILES	NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1

MNX internals

InChI (mnx)	InChI=1/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
SMILES (mnx)	[CH2:1]1[CH2:2][C@@H:12]([C:14](=[NH:17])[OH:24])[N:22]([C:16]([C@H:11]([CH2:6][C:9]2=[CH:7][N:18]=[CH:8][NH:19]2)[N:21]=[C:15]([C@@H:10]2[CH2:3][CH2:4][C:13]([OH:23])=[N:20]2)[OH:25])=[O:26])[CH2:5]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35940 chebi:35940 XNSAINXGIQZQOO-SRVKXCTJSA-N	protirelin 5-oxo-L-prolyl-L-histidyl-L-prolinamide L-Pyroglutamyl-L-histidyl-L-prolineamide Protirelin TRH TSH-releasing factor TSH-releasing hormone Thyroliberin Thyrotropic releasing hormone Thyrotropic-releasing factor Thyrotropin releasing hormone Thyrotropin-releasing factor
kegg.drug:D00176 keggD:D00176 XNSAINXGIQZQOO-SRVKXCTJSA-N	Protirelin (JP18/USAN/INN) Relefact TRH (TN)
seed.compound:cpd32930 seedM:cpd32930 XNSAINXGIQZQOO-NDQFZYFBSA-N	TRF pyroglutamyl-histidyl-prolylamide thyroliberin thyrotropin releasing hormone thyrotropin-releasing factor
seed.compound:cpd02457 seedM:cpd02457 XNSAINXGIQZQOO-SRVKXCTJSA-N	TRH Protirelin Thyroliberin Thyrotropin releasing hormone Thyrotropin-releasing hormone
bigg.metabolite:C03958 biggM:C03958 vmhM:C03958 vmhmetabolite:C03958 XNSAINXGIQZQOO-SRVKXCTJSA-N	Thyrotropin releasing hormone
hmdb:HMDB0060080 XNSAINXGIQZQOO-SRVKXCTJSA-N	Thyrotropin releasing hormone (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide Abbott 38579 Abbott brand OF protirelin Abbott-38579 Abbott38579 Antepan Aventis brand OF protirelin Ferring brand OF protirelin Henning berlin brand OF protirelin Hydrate, proterelin tartrate L-Pyroglutamyl-L-histidyl-L-prolineamide Merck brand OF protirelin Novartis brand OF protirelin Prem, TRH Proterelin tartrate Proterelin tartrate hydrate Protirelin Protirelin abbott brand Protirelin aventis brand Protirelin ferring brand Protirelin merck brand Protirelin novartis brand Protirelin tartrate (1:1) Relefact TRH Stimu TSH Stimu-TSH StimuTSH TRH TRH Ferring TRH Prem TRH, Relefact TSH-Releasing factor TSH-Releasing hormone Tartrate hydrate, proterelin Thypinone Thyroliberin Thyroliberin TRH merck Thyrotropic releasing hormone Thyrotropic-releasing factor Thyrotropin releasing factor Thyrotropin releasing hormone tartrate Thyrotropin-releasing factor Thyrotropin-releasing hormone Thyrotropin-releasing hormone tartrate
kegg.compound:C03958 keggC:C03958 XNSAINXGIQZQOO-SRVKXCTJSA-N	Thyrotropin-releasing hormone Protirelin TRH Thyroliberin
metacyc.compound:CPD-20640 metacycM:CPD-20640 XNSAINXGIQZQOO-NDQFZYFBSA-N	thyrotropin releasing hormone TRF TRH pyroglutamyl-histidyl-prolylamide thyroliberin thyrotropin-releasing factor
hmdb:HMDB60080 chebi:8584 chebi:9585 biggM:M_C03958 keggC:M_C03958 keggD:M_D00176 seedM:M_cpd02457 seedM:M_cpd32930 vmhM:M_C03958	secondary/obsolete/fantasy identifier