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CHEBI:204258 - Hapalocyclamide

ChEBI IDCHEBI:204258
ChEBI NameHapalocyclamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26N6O4S2
Net Charge0
Average Mass538.655
Monoisotopic Mass538.14570
SMILESCc1oc2nc1C(=O)N[C@@H](C)c1nc(cs1)C(=O)N[C@H](Cc1ccccc1)C1=N[C@H](CS1)C(=O)N[C@@H]2C
InChIInChI=1S/C25H26N6O4S2/c1-12-23-31-19(14(3)35-23)22(34)27-13(2)24-29-18(10-36-24)21(33)28-16(9-15-7-5-4-6-8-15)25-30-17(11-37-25)20(32)26-12/h4-8,10,12-13,16-17H,9,11H2,1-3H3,(H,26,32)(H,27,34)(H,28,33)/t12-,13+,16-,17-/m1/s1
InChIKeyCFWGJXVIHMKTMC-DLTLXFJOSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon (ncbitaxon:162985) - DOI (10.1016/j.tetlet.2011.12.048)
ChEBI Ontology
Outgoing Relation(s)
Hapalocyclamide (CHEBI:204258) is a azamacrocycle (CHEBI:52898)
Hapalocyclamide (CHEBI:204258) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,4R,11S,18R)-18-benzyl-4,7,11-trimethyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),7,12(23),14,19(22)-pentaene-2,9,16-trione
Manual XrefsDatabases
28289469ChemSpider