CHEBI:8643 - Purpureacin-1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Purpureacin-1
ChEBI ID CHEBI:8643
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H66O8
Net Charge 0
Average Mass 638.917
Monoisotopic Mass 638.47577
InChI InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
InChIKey HKMBLJVHVBJAIH-UHFFFAOYSA-N
SMILES CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1
ChEBI Ontology
Outgoing Purpureacin-1 (CHEBI:8643) is a polyketide (CHEBI:26188)
Synonym Source
Purpureacin-1 KEGG COMPOUND
Manual Xrefs Databases
C00001320 KNApSAcK
C08505 KEGG COMPOUND
HMDB0034739 HMDB
View more database links
Registry Number Type Source
150134-21-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014