Compound Identification
SMILES
[H]\C(CCCCCCCCCCCCCCCCC)=C(/[H])C(O)=NCCCC[C@]([H])(N=C(O)[C@]1(C)COC(=N1)C1=CC=CC=C1O)C(=O)O[C@]([H])(C)CC(O)=N[C@@]1([H])CCCCN=C1O
InChIKey
InChIKey=JLBSVDZUWJLOCF-ZLKQSCCRSA-N
Formula
C47H75N5O8
Mass
838.144
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Peptides
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Not available
Direct Parent
Peptides
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Azepines Benzene and substituted derivatives Oxazolines Cyclic carboximidic acids Lactims Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha peptide - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Fatty acid ester - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxazoline - Cyclic carboximidic acid - Carboxylic acid ester - Lactim - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Oxacycle - Monocarboxylic acid or derivatives - Carboximidic acid derivative - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
External Descriptors
LIPIDMAPS (LMFA00000015) : Other Fatty Acyls