EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6253 - L-indospicine

ChEBI IDCHEBI:6253
ChEBI NameL-indospicine
Stars
ASCII NameL-indospicine
DefinitionAn α-amino acid that is 2,7-diaminoheptanoic acid substituted by a imino group at position 7 (the 2S stereoisomer).
Last Modified26 March 2015
DownloadsMolfile
FormulaC7H15N3O2
Net Charge0
Average Mass173.216
Monoisotopic Mass173.11643
SMILESN=C(N)CCCC[C@H](N)C(=O)O
InChIInChI=1S/C7H15N3O2/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H3,9,10)(H,11,12)/t5-/m0/s1
InChIKeySILQDLDAWPQMEL-YFKPBYRVSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
hepatotoxic agent  A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals.
ChEBI Ontology
Outgoing Relation(s)
L-indospicine (CHEBI:6253) has role hepatotoxic agent (CHEBI:50908)
L-indospicine (CHEBI:6253) has role plant metabolite (CHEBI:76924)
L-indospicine (CHEBI:6253) is a carboxamidine (CHEBI:35359)
L-indospicine (CHEBI:6253) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
IUPAC Name 
(2S)-2,7-diamino-7-iminoheptanoic acid
Synonym  Source
IndospicineKEGG COMPOUND
Manual XrefsDatabases
C08288KEGG COMPOUND
C00001373KNApSAcK
Registry NumbersSources
Reaxys:5330230Reaxys
CAS:16377-00-7KEGG COMPOUND
CAS:16377-00-7ChemIDplus
Citations