EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200409 - Cinnabaramide F

ChEBI IDCHEBI:200409
ChEBI NameCinnabaramide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38N2O7S
Net Charge0
Average Mass498.642
Monoisotopic Mass498.23997
SMILESCCCCCC[C@H]1C(=O)N[C@](C(=O)SC[C@H](NC(C)=O)C(=O)O)([C@@H](O)[C@@H]2C=CCCC2)[C@@]1(C)O
InChIInChI=1S/C24H38N2O7S/c1-4-5-6-10-13-17-20(29)26-24(23(17,3)33,19(28)16-11-8-7-9-12-16)22(32)34-14-18(21(30)31)25-15(2)27/h8,11,16-19,28,33H,4-7,9-10,12-14H2,1-3H3,(H,25,27)(H,26,29)(H,30,31)/t16-,17+,18+,19+,23+,24+/m1/s1
InChIKeyLNANRAACAKDGBI-HIOGCZMJSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (17249727)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cinnabaramide F (CHEBI:200409) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2R)-2-acetamido-3-[(2R,3S,4R)-2-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-4-hexyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbonyl]sulanylpropanoic acid
Manual XrefsDatabases
17267199ChemSpider