CHEBI:207665 - Graphiumin F

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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 Graphiumin F
ChEBI ID CHEBI:207665
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C36H50N2O9S2
Net Charge 0
Average Mass 718.920
Monoisotopic Mass 718.29577
InChI InChI=1S/C36H50N2O9S2/c1-5-7-9-13-25(39)18-29(41)46-27-15-11-12-23-20-35(48-3)33(43)38-32-24(21-36(38,49-4)34(44)37(35)31(23)27)22-45-17-16-28(32)47-30(42)19-26(40)14-10-8-6-2/h11-12,15-17,22,25-28,31-32,39-40H,5-10,13-14,18-21H2,1-4H3/t25-,26-,27-,28-,31-,32-,35+,36+/m0/s1
InChIKey NGEGLVLHXITUQH-UNGBEAOESA-N
SMILES S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C[C@@H](O)CCCCC)C=CC4)[C@@H]5[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C5C2)C
Metabolite of Species Details
Graphium (NCBI:txid76204) See: PubMed
ChEBI Ontology
Outgoing Graphiumin F (CHEBI:207665) has functional parent α-amino acid (CHEBI:33704)
Graphiumin F (CHEBI:207665) is a organonitrogen compound (CHEBI:35352)
Graphiumin F (CHEBI:207665) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(1R,4S,5S,11R,14S,15S)-15-[(3S)-3-hydroxyoctanoyl]oxy-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-5-yl] (3S)-3-hydroxyoctanoate
Manual Xref Database
40256647 ChemSpider
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