EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182806 - (2S)-2-[(3S,9E,14S)-7,14-Dimethyl-11-methylidene-15-[(2R)-octan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide

ChEBI IDCHEBI:182806
ChEBI Name(2S)-2-[(3S,9E,14S)-7,14-Dimethyl-11-methylidene-15-[(2R)-octan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38N4O7
Net Charge0
Average Mass494.589
Monoisotopic Mass494.27405
SMILES[H][C@@]1([C@H](O)C(N)=O)NC(=O)CN(C)C(=O)/C=C/C(=C)NC(=O)[C@@H](C)C([C@H](C)CCCCCC)OC1=O
InChIInChI=1S/C24H38N4O7/c1-6-7-8-9-10-14(2)21-16(4)23(33)26-15(3)11-12-18(30)28(5)13-17(29)27-19(24(34)35-21)20(31)22(25)32/h11-12,14,16,19-21,31H,3,6-10,13H2,1-2,4-5H3,(H2,25,32)(H,26,33)(H,27,29)/b12-11+/t14-,16+,19+,20+,21?/m1/s1
InChIKeyCIRMNTDTIYXVDA-HQWXCZLASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(3S,9E,14S)-7,14-Dimethyl-11-methylidene-15-[(2R)-octan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide (CHEBI:182806) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[(3S,9E,14S)-7,14-dimethyl-11-methylidene-15-[(2R)-octan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide