CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: N-\{1-amino-6-[(5-nitro-2-furoyl)amino]-1-oxohexan-2-yl\}-26-(indol-3-yl)-23-oxo-4,7,10,13,16,19-hexaoxa-22-azahexacosan-1-amide
Accession: CHEBI:63096
browse the term
Definition: A furan having a nitro group at position 5 and a carboxamido group in turn bearing a long-chain multifunctional N-alkyl group at position 2.
Synonyms: exact_synonym: N-{1-amino-6-[(5-nitro-2-furoyl)amino]-1-oxohexan-2-yl}-26-(1H-indol-3-yl)-23-oxo-4,7,10,13,16,19-hexaoxa-22-azahexacosan-1-amide
related_synonym: Formula=C38H56N6O13; InChI=1S/C38H56N6O13/c39-37(47)32(9-3-4-14-41-38(48)33-11-12-36(57-33)44(49)50)43-35(46)13-16-51-18-20-53-22-24-55-26-27-56-25-23-54-21-19-52-17-15-40-34(45)10-5-6-29-28-42-31-8-2-1-7-30(29)31/h1-2,7-8,11-12,28,32,42H,3-6,9-10,13-27H2,(H2,39,47)(H,40,45)(H,41,48)(H,43,46); InChIKey=AFQNEJIPKKLOCL-UHFFFAOYSA-N; SMILES=NC(=O)C(CCCCNC(=O)c1ccc(o1)[N+]([O-])=O)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCc1c[nH]c2ccccc12
xref: PMID:21944756
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
494
chemical entity
501
group
488
inorganic group
437
nitro group
5
nitro compound
5
C-nitro compound
5
N-\{1-amino-6-[(5-nitro-2-furoyl)amino]-1-oxohexan-2-yl\}-26-(indol-3-yl)-23-oxo-4,7,10,13,16,19-hexaoxa-22-azahexacosan-1-amide
0
Path 2
CHEBI ontology
494
subatomic particle
494
composite particle
494
hadron
501
baryon
494
nucleon
494
atomic nucleus
494
atom
494
main group element atom
487
p-block element atom
487
carbon group element atom
476
carbon atom
482
organic molecular entity
475
heteroorganic entity
471
organochalcogen compound
425
organooxygen compound
423
carbon oxoacid
364
carboxylic acid
364
carboacyl group
305
univalent carboacyl group
305
carbamoyl group
303
carboxamide
306
monocarboxylic acid amide
273
N-\{1-amino-6-[(5-nitro-2-furoyl)amino]-1-oxohexan-2-yl\}-26-(indol-3-yl)-23-oxo-4,7,10,13,16,19-hexaoxa-22-azahexacosan-1-amide
0