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CHEBI:177842 - nostocyclamide

ChEBI IDCHEBI:177842
ChEBI Namenostocyclamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N6O4S2
Net Charge0
Average Mass474.568
Monoisotopic Mass474.11440
SMILESCc1oc2nc1C(=O)NCc1nc(cs1)C(=O)N[C@H](C(C)C)c1nc(cs1)C(=O)N[C@H]2C
InChIInChI=1S/C20H22N6O4S2/c1-8(2)14-20-24-12(7-32-20)16(27)22-9(3)19-26-15(10(4)30-19)18(29)21-5-13-23-11(6-31-13)17(28)25-14/h6-9,14H,5H2,1-4H3,(H,21,29)(H,22,27)(H,25,28)/t9-,14+/m0/s1
InChIKeyCRISVSOALHAQCE-LKFCYVNXSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
nostocyclamide (CHEBI:177842) is a azamacrocycle (CHEBI:52898)
nostocyclamide (CHEBI:177842) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4S,18R)-4,7-dimethyl-18-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Manual XrefsDatabases
10307303ChemSpider