CHEBI:206887 - Hyalachelin A

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 Hyalachelin A
ChEBI ID CHEBI:206887
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H31N3O10
Net Charge 0
Average Mass 581.578
Monoisotopic Mass 581.20094
InChI InChI=1S/C29H31N3O10/c30-14-16(4-1-2-13-31-26(38)19-5-3-6-20(34)24(19)36)32-27(39)22-18(11-12-21(35)25(22)37)23(29(32,42)28(40)41)15-7-9-17(33)10-8-15/h3,5-12,16,23,33-37,42H,1-2,4,13-14,30H2,(H,31,38)(H,40,41)/t16-,23+,29-/m0/s1
InChIKey UNBMTWACBONEOH-JVXONFNOSA-N
SMILES O=C1N([C@@](O)(C(=O)O)[C@H](C2=CC=C(O)C=C2)C=3C1=C(O)C(O)=CC3)[C@H](CN)CCCCNC(=O)C4=C(O)C(O)=CC=C4
Metabolite of Species Details
Hyalangium minutum (NCBI:txid394096) See: PubMed
ChEBI Ontology
Outgoing Hyalachelin A (CHEBI:206887) is a isoquinolines (CHEBI:24922)
IUPAC Name
(3S,4R)-2-[(2S)-1-amino-6-[(2,3-dihydroxybenzoyl)amino]hexan-2-yl]-3,7,8-trihydroxy-4-(4-hydroxyphenyl)-1-oxo-4H-isoquinoline-3-carboxylic acid
Manual Xref Database
34452045 ChemSpider
View more database links