CHEBI:216897 - Hyalachelin C

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 C
ChEBI ID CHEBI:216897
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H32N4O9
Net Charge 0
Average Mass 604.616
Monoisotopic Mass 604.21693
InChI InChI=1S/C31H32N4O9/c32-14-16(6-3-4-13-33-28(40)19-8-5-10-22(36)26(19)38)35-29(41)24-18(11-12-23(37)27(24)39)25(31(35,44)30(42)43)20-15-34-21-9-2-1-7-17(20)21/h1-2,5,7-12,15-16,25,34,36-39,44H,3-4,6,13-14,32H2,(H,33,40)(H,42,43)/t16-,25-,31-/m0/s1
InChIKey ZIZXZYIYZWDULD-AIFNDOITSA-N
SMILES O=C1N([C@@](O)(C(=O)O)[C@H](C=2C3=C(C=CC=C3)NC2)C=4C1=C(O)C(O)=CC4)[C@H](CN)CCCCNC(=O)C5=C(O)C(O)=CC=C5
Metabolite of Species Details
Hyalangium minutum (NCBI:txid394096) See: PubMed
ChEBI Ontology
Outgoing Hyalachelin C (CHEBI:216897) is a isoquinolines (CHEBI:24922)
IUPAC Name
(3S,4S)-2-[(2S)-1-amino-6-[(2,3-dihydroxybenzoyl)amino]hexan-2-yl]-3,7,8-trihydroxy-4-(1H-indol-3-yl)-1-oxo-4H-isoquinoline-3-carboxylic acid
Manual Xref Database
58825876 ChemSpider
View more database links