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CHEBI:204678 - Boydine D

ChEBI IDCHEBI:204678
ChEBI NameBoydine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36N2O8S2
Net Charge0
Average Mass628.769
Monoisotopic Mass628.19131
SMILESCC=C(C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)O[C@H]1C=COC=C2C[C@@]3(SC)C(=O)N4c5c(O)cccc5C[C@@]4(SC)C(=O)N3[C@@H]21
InChIInChI=1S/C31H36N2O8S2/c1-7-16(2)25(35)17(3)26(36)18(4)27(37)41-22-11-12-40-15-20-14-31(43-6)28(38)32-23-19(9-8-10-21(23)34)13-30(32,42-5)29(39)33(31)24(20)22/h7-12,15,17-18,22,24,26,34,36H,13-14H2,1-6H3/t17-,18-,22+,24+,26+,30-,31-/m1/s1
InChIKeyQRBLNDFKPJFNFP-IDYPZPIUSA-N
Species of MetaboliteComponentSourceComments
Scedosporium boydii (ncbitaxon:5597) - PubMed (25319640)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Boydine D (CHEBI:204678) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
[(1R,11R,14S,15S)-5-hydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-4(9),5,7,16,19-pentaen-15-yl] (2R,3S,4S)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate