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CHEBI:203169 - Boydine B

ChEBI IDCHEBI:203169
ChEBI NameBoydine B
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SubmitterMetaboLights
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FormulaC31H38N2O7S2
Net Charge0
Average Mass614.786
Monoisotopic Mass614.21204
SMILESCC=C(C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)O[C@H]1C=CC=C2C[C@@]3(SC)C(=O)N4[C@H]5C(=CC=C[C@@H]5O)C[C@@]4(SC)C(=O)N3[C@@H]21
InChIInChI=1S/C31H38N2O7S2/c1-7-16(2)25(35)17(3)26(36)18(4)27(37)40-22-13-9-11-20-15-31(42-6)28(38)32-23-19(10-8-12-21(23)34)14-30(32,41-5)29(39)33(31)24(20)22/h7-13,17-18,21-24,26,34,36H,14-15H2,1-6H3/t17-,18-,21+,22+,23+,24+,26+,30-,31-/m1/s1
InChIKeyGPWZATSZSLEEBD-VYKKJUJXSA-N
Species of MetaboliteComponentSourceComments
Scedosporium boydii (ncbitaxon:5597) - PubMed (25319640)
ChEBI Ontology
Outgoing Relation(s)
Boydine B (CHEBI:203169) has functional parent α-amino acid (CHEBI:33704)
Boydine B (CHEBI:203169) is a organonitrogen compound (CHEBI:35352)
Boydine B (CHEBI:203169) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,4S,5S,11R,14S,15S)-15-hydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,8,16,18-tetraen-5-yl] (2R,3S,4S)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate