CHEBI:212604 - Microcyclamide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Microcyclamide
ChEBI ID CHEBI:212604
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30N8O4S2
Net Charge 0
Average Mass 582.700
Monoisotopic Mass 582.18314
InChI InChI=1S/C26H30N8O4S2/c1-6-12(2)19-26-31-18(10-40-26)22(36)29-16(7-15-8-27-11-34(15)5)25-30-17(9-39-25)21(35)28-13(3)24-33-20(14(4)38-24)23(37)32-19/h8-13,16,19H,6-7H2,1-5H3,(H,28,35)(H,29,36)(H,32,37)/t12-,13-,16-,19-/m0/s1
InChIKey VJNFZONNMHDIHW-DYIBVVGTSA-N
SMILES S1C2=NC(=C1)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C4=NC(C(N[C@H]2[C@H](CC)C)=O)=C(O4)C)C)CC=5N(C=NC5)C
Metabolite of Species Details
Microcystis aeruginosa NIES-298 (NCBI:txid449468) See: PubMed
ChEBI Ontology
Outgoing Microcyclamide (CHEBI:212604) is a azamacrocycle (CHEBI:52898)
Microcyclamide (CHEBI:212604) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name
(4S,11S,18S)-11-[(2S)-butan-2-yl]-4,7-dimethyl-18-[(3-methylimidazol-4-yl)methyl]-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 Xref Database
10242808 ChemSpider
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