CHEBI:31513 - Docarpamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Docarpamine
ChEBI ID CHEBI:31513
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C21H30N2O8S
C21H30N2O8S
Net Charge 0
Average Mass 470.538
Monoisotopic Mass 470.17229
InChI InChI=1S/C21H30N2O8S/c1-5-28-20(26)30-17-8-7-15(13-18(17)31-21(27)29-6-2)9-11-22-19(25)16(10-12-32-4)23-14(3)24/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKey ZLVMAMIPILWYHQ-INIZCTEOSA-N
SMILES O(C(OCC)=O)C1=C(OC(OCC)=O)C=C(C=C1)CCNC([C@H](CCSC)NC(C)=O)=O
ChEBI Ontology
Outgoing Docarpamine (CHEBI:31513) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Docarpamine KEGG COMPOUND
tanadopa DrugCentral
Manual Xrefs Databases
938 DrugCentral
D01903 KEGG DRUG
View more database links
Registry Number Type Source
74639-40-0 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017