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CHEBI:68072 - chrysogeside D

ChEBI IDCHEBI:68072
ChEBI Namechrysogeside D
Stars
DefinitionA glucosylceramide isolated from Penicillium chrysogenum.
Last Modified21 July 2016
DownloadsMolfile
FormulaC43H79NO9
Net Charge0
Average Mass754.103
Monoisotopic Mass753.57548
SMILESCCCCCCCCCCCCCCC/C=C/[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCC
InChIInChI=1S/C43H79NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-11-9-7-5-2/h26-27,29-31,35-41,43,45-50H,4-25,28,32-33H2,1-3H3,(H,44,51)/b30-27+,31-26+,34-29+/t35-,36+,37+,38+,39+,40-,41+,43+/m0/s1
InChIKeySSNZBMSHTYMPDC-DDSPGNMTSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) mycelium (BTO:0001436) PubMed (21381678) Fungus isolated from the root surface of Rhizophora stylosa, EtOAc extract of fermentation broth Strain: PXP 55
Roles Classification
Biological Role:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
chrysogeside D (CHEBI:68072) has role Penicillium metabolite (CHEBI:76964)
chrysogeside D (CHEBI:68072) is a β-D-glucosylceramide (CHEBI:83264)
IUPAC Name 
(2R,3E)-N-[(2S,3R,4E,8E)-1-(β-D-glucopyranosyloxy)-3-hydroxy-9-methylheptadeca-4,8-dien-2-yl]-2-hydroxynonadec-3-enamide
Registry NumbersSources
Reaxys:21559832Reaxys
Citations