EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72630 - papulacandin D

ChEBI IDCHEBI:72630
ChEBI Namepapulacandin D
Stars
DefinitionA papulacandin that is papulacandin A in which the 6-O-acylgalactosyl group is replaced by a hydrogen. It is a carbohydrate-containing antibiotic from the deuteromycetous fungus Papularia sphaerosperma which shows potent antifungal activity against Candida albicans.
Last Modified27 February 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC31H42O10
Net Charge0
Average Mass574.667
Monoisotopic Mass574.27780
SMILESCC[C@H](C)CC/C=C/C=C(\C)[C@@H](O)C/C=C/C=C/C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@]2(OCc3cc(O)cc(O)c32)[C@@H]1O
InChIInChI=1S/C31H42O10/c1-4-19(2)11-7-5-8-12-20(3)23(34)13-9-6-10-14-26(36)40-29-28(37)25(17-32)41-31(30(29)38)27-21(18-39-31)15-22(33)16-24(27)35/h5-6,8-10,12,14-16,19,23,25,28-30,32-35,37-38H,4,7,11,13,17-18H2,1-3H3/b8-5+,9-6+,14-10+,20-12+/t19-,23-,25+,28+,29-,30+,31-/m0/s1
InChIKeyXKSZJTQIZHUMGA-HPZFVNCBSA-N
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
papulacandin D (CHEBI:72630) has role antifungal agent (CHEBI:35718)
papulacandin D (CHEBI:72630) has role metabolite (CHEBI:25212)
papulacandin D (CHEBI:72630) is a monosaccharide derivative (CHEBI:63367)
papulacandin D (CHEBI:72630) is a organic heterotricyclic compound (CHEBI:26979)
papulacandin D (CHEBI:72630) is a papulacandin (CHEBI:72596)
IUPAC Name 
(1S,3'R,4'S,5'R,6'R)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[2-benzofuran-1,2'-pyran]-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
Synonyms  Source
(+)-papulacandin DChEBI
(+)-papulacandin-DChEBI
papulacandin-DChEBI
Registry NumbersSources
Reaxys:7239678Reaxys
CAS:61036-49-5ChemIDplus
Citations