CHEBI:6253 - L-indospicine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-indospicine
ChEBI ID CHEBI:6253
ChEBI ASCII Name L-indospicine
Definition An α-amino acid that is 2,7-diaminoheptanoic acid substituted by a imino group at position 7 (the 2S stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H15N3O2
Net Charge 0
Average Mass 173.21290
Monoisotopic Mass 173.11643
InChI InChI=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
InChIKey SILQDLDAWPQMEL-YFKPBYRVSA-N
SMILES N[C@@H](CCCCC(N)=N)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): hepatotoxic agent
A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via L-alpha-amino acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Indospicine KEGG COMPOUND
Manual Xrefs Databases
C00001373 KNApSAcK
C08288 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
16377-00-7 CAS Registry Number KEGG COMPOUND
16377-00-7 CAS Registry Number ChemIDplus
5330230 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11122512 PubMed citation Europe PMC
21323657 PubMed citation Europe PMC
3214366 PubMed citation Europe PMC
5022273 PubMed citation Europe PMC
5639150 PubMed citation Europe PMC
Last Modified
26 March 2015