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CHEBI:214941 - Haematocin

ChEBI IDCHEBI:214941
ChEBI NameHaematocin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26N2O6S2
Net Charge0
Average Mass502.614
Monoisotopic Mass502.12323
SMILESCS[C@@]12CC3=CC=C[C@H](OC(C)=O)[C@H]3N1C(=O)[C@]1(SC)CC3=CC=C[C@H](OC(C)=O)[C@H]3N1C2=O
InChIInChI=1S/C24H26N2O6S2/c1-13(27)31-17-9-5-7-15-11-23(33-3)22(30)26-20-16(8-6-10-18(20)32-14(2)28)12-24(26,34-4)21(29)25(23)19(15)17/h5-10,17-20H,11-12H2,1-4H3/t17-,18-,19-,20-,23+,24+/m0/s1
InChIKeyFPNHTLQJBSBNHG-KHTMQFLISA-N
Species of MetaboliteComponentSourceComments
Nectria (ncbitaxon:5133) - PubMed (10724007)
ChEBI Ontology
Outgoing Relation(s)
Haematocin (CHEBI:214941) has functional parent α-amino acid (CHEBI:33704)
Haematocin (CHEBI:214941) is a organonitrogen compound (CHEBI:35352)
Haematocin (CHEBI:214941) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,4S,5S,11R,14S,15S)-15-acetyloxy-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] acetate
Manual XrefsDatabases
8919379ChemSpider