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CHEBI:220953 - Boydine C

ChEBI IDCHEBI:220953
ChEBI NameBoydine C
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SubmitterMetaboLights
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FormulaC31H38N2O8S2
Net Charge0
Average Mass630.785
Monoisotopic Mass630.20696
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)N4[C@H]5C(=CC=C[C@@H]5O)C[C@@]4(SC)C(=O)N3[C@@H]21
InChIInChI=1S/C31H38N2O8S2/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/h7-12,15,17-18,21-24,26,34,36H,13-14H2,1-6H3/t17-,18-,21+,22+,23+,24+,26+,30-,31-/m1/s1
InChIKeyZNNFEUYWUHMNHD-VYKKJUJXSA-N
Species of MetaboliteComponentSourceComments
Scedosporium boydii (ncbitaxon:5597) - PubMed (25319640)
ChEBI Ontology
Outgoing Relation(s)
Boydine C (CHEBI:220953) has functional parent α-amino acid (CHEBI:33704)
Boydine C (CHEBI:220953) is a organonitrogen compound (CHEBI:35352)
Boydine C (CHEBI:220953) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,4S,5S,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-6,8,16,19-tetraen-15-yl] (2R,3S,4S)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate