CHEBI:204659 - 11′-carboxygymnastatin N

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 11′-carboxygymnastatin N
ChEBI ID CHEBI:204659
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H31NO6
Net Charge 0
Average Mass 417.502
Monoisotopic Mass 417.21514
InChI InChI=1S/C23H31NO6/c1-16(6-4-3-5-7-22(27)28)14-17(2)8-13-21(26)24-20(23(29)30)15-18-9-11-19(25)12-10-18/h8-14,16,20,25H,3-7,15H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)/b13-8+,17-14+/t16-,20?/m1/s1
InChIKey KUYFQMXHLKRNIU-ABQJHCDMSA-N
SMILES O=C(NC(C(=O)O)CC1=CC=C(O)C=C1)/C=C/C(=C/[C@@H](CCCCCC(=O)O)C)/C
Metabolite of Species Details
Gymnascella dankaliensis (NCBI:txid166389) See: PubMed
ChEBI Ontology
Outgoing 11′-carboxygymnastatin N (CHEBI:204659) is a tyrosine derivative (CHEBI:62761)
IUPAC Name
(7R,8E,10E)-12-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-7,9-dimethyl-12-oxododeca-8,10-dienoic acid
Manual Xref Database
58992468 ChemSpider
View more database links