CHEBI:142971 - 2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate
ChEBI ID CHEBI:142971
ChEBI ASCII Name 2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate
Definition The stereoconfiguration is based on CHEBI:134612, pmid:20810662
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C11H20N4O7
Net Charge 0
Average Mass 320.300
Monoisotopic Mass 320.13320
InChI InChI=1S/C11H20N4O7/c12-1-2-14-7(16)3-11(22,10(20)21)4-8(17)15-5-6(13)9(18)19/h6,22H,1-5,12-13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/t6-,11-/m0/s1
InChIKey GKMWYFDLBOVUPV-KGFZYKRKSA-N
SMILES O=C(NCC[NH3+])C[C@](CC(=O)NC[C@@H](C([O-])=O)[NH3+])(C([O-])=O)O
ChEBI Ontology
Outgoing 2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate (CHEBI:142971) has functional parent staphyloferrin B(2−) (CHEBI:136993)
2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate (CHEBI:142971) is a organic molecular entity (CHEBI:50860)
Synonym Source
2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate UniProt
Manual Xref Database
CPD-21433 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
19775248 PubMed citation SUBMITTER