EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222313 - K-13

ChEBI IDCHEBI:222313
ChEBI NameK-13
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H29N3O8
Net Charge0
Average Mass547.564
Monoisotopic Mass547.19546
SMILESCC(=O)NC1Cc2cccc(c2)Oc2cc(ccc2O)CC(C(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C29H29N3O8/c1-16(33)30-22-13-18-3-2-4-21(11-18)40-26-15-19(7-10-25(26)35)14-24(29(38)39)32-28(37)23(31-27(22)36)12-17-5-8-20(34)9-6-17/h2-11,15,22-24,34-35H,12-14H2,1H3,(H,30,33)(H,31,36)(H,32,37)(H,38,39)
InChIKeyGVXDSADPDBJTDD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (3034845)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
K-13 (CHEBI:222313) is a oligopeptide (CHEBI:25676)
IUPAC Name 
15-acetamido-4-hydroxy-12-[(4-hydroxyphenyl)methyl]-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.3.1.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaene-9-carboxylic acid
Manual XrefsDatabases
78444910ChemSpider