CHEBI:199871 - Ngercheumicin 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 Ngercheumicin F
ChEBI ID CHEBI:199871
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H76N6O11
Net Charge 0
Average Mass 853.112
Monoisotopic Mass 852.55721
InChI InChI=1S/C43H76N6O11/c1-10-11-12-13-14-15-16-17-18-19-30(52)23-35(53)44-31(20-25(2)3)39(55)49-37-29(9)60-43(59)33(22-27(6)7)46-38(54)32(21-26(4)5)45-41(57)36(28(8)51)48-40(56)34(24-50)47-42(37)58/h15-16,25-34,36-37,50-52H,10-14,17-24H2,1-9H3,(H,44,53)(H,45,57)(H,46,54)(H,47,58)(H,48,56)(H,49,55)/b16-15-/t28-,29-,30?,31?,32?,33?,34+,36-,37-/m0/s1
InChIKey RHJAHLYWTDULNL-HJTHNFCZSA-N
SMILES O=C1O[C@H]([C@H](NC(=O)C(NC(=O)CC(O)CCC/C=C\CCCCCC)CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(NC(C(NC1CC(C)C)=O)CC(C)C)=O)[C@@H](O)C)CO)C
Metabolite of Species Details
Photobacteriumspecies (NCBI:txid660) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ngercheumicin F (CHEBI:199871) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(Z)-3-hydroxy-N-[1-[[(9S,12R,15S,16S)-9-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-16-methyl-3,6-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-4-methyl-1-oxopentan-2-yl]tetradec-7-enamide
Manual Xref Database
78445490 ChemSpider
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