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CHEBI:200068 - Cyslabdan

ChEBI IDCHEBI:200068
ChEBI NameCyslabdan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H41NO5S
Net Charge0
Average Mass467.672
Monoisotopic Mass467.27054
SMILESC=C/C(C)=C/C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@H](O)[C@]1(O)CSC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C25H41NO5S/c1-7-16(2)9-10-19-24(6)12-8-11-23(4,5)20(24)13-21(28)25(19,31)15-32-14-18(22(29)30)26-17(3)27/h7,9,18-21,28,31H,1,8,10-15H2,2-6H3,(H,26,27)(H,29,30)/b16-9+/t18-,19+,20-,21-,24+,25-/m0/s1
InChIKeyPSUMRJNLBIVEFF-RIVHMUOTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces cyslabdanicus (ncbitaxon:1470456) - PubMed (18305353)
ChEBI Ontology
Outgoing Relation(s)
Cyslabdan (CHEBI:200068) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R)-3-[[(1R,2S,3S,4aS,8aS)-2,3-dihydroxy-5,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]methylsulanyl]-2-acetamidopropanoic acid
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