Dataset

delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid, (2S)-2-amino-5-(carbamoylamino)pentanoic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT211890 contains the MS2 mass spectrum of delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid, (2S)-2-amino-5-(carbamoylamino)pentanoic acid with the InChIkey RHGKLRLOHDJJDR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
SMILES C(CC(C(=O)O)N)CNC(=O)N
InChI Key RHGKLRLOHDJJDR-UHFFFAOYSA-N
Molecular Formula C6H13N3O3
Exact Mass 175.188 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT211890
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:24.338198
MetadataModified 2024-01-11T21:07:24.524752
MetadataPublished 2008-07-29
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
18211 ChEBI
1OYO2NV4NM FDA SRS
J3.054.119G Nikkaji
HMDB0250742 Human Metabolome Database
FIFGOQ CCDC
HY-W016734 MedChemExpress
MCULE-9892421890 Mcule
833 PubChem
10009014 NMRShiftDB
SCHEMBL20587 SureChEMBL
16935971 PubChem: Thomson Pharma
372-75-8 ACToR
145802 Brenda
PD001552 ProbesDrugs
25244873 PubChem
884088 eMolecules
CB7478532 ChemicalBook
1464 Brenda
LSM-45926 LINCS
93273 Brenda
MTBLC18211 Metabolights
The data in this table is sourced from UniChem at EBI.