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CHEBI:216052 - Largimycin O1

ChEBI IDCHEBI:216052
ChEBI NameLargimycin O1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39N3O8S2
Net Charge0
Average Mass621.778
Monoisotopic Mass621.21786
SMILESC=C1/C=C/C=C\c2coc(n2)[C@H]([C@H](O)CSC[C@@H](NC(C)=O)C(=O)O)NC(=O)C[C@@](S)([C@@H](C)C(=O)O)CC/C(C)=C/C1
InChIInChI=1S/C29H39N3O8S2/c1-17-7-5-6-8-21-14-40-26(31-21)25(23(34)16-42-15-22(28(38)39)30-20(4)33)32-24(35)13-29(41,19(3)27(36)37)12-11-18(2)10-9-17/h5-8,10,14,19,22-23,25,34,41H,1,9,11-13,15-16H2,2-4H3,(H,30,33)(H,32,35)(H,36,37)(H,38,39)/b7-5+,8-6-,18-10+/t19-,22+,23+,25-,29+/m0/s1
InChIKeyWEYYGDRFGZHZAL-JZKJENEVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32310633)
ChEBI Ontology
Outgoing Relation(s)
Largimycin O1 (CHEBI:216052) is a azamacrocycle (CHEBI:52898)
Largimycin O1 (CHEBI:216052) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2S)-2-acetamido-3-[(2S)-2-[(2S,6R,9E,13E,15Z)-6-[(1S)-1-carboxyethyl]-9-methyl-12-methylidene-4-oxo-6-sulanyl-19-oxa-3,20-diazabicyclo[15.2.1]icosa-1(20),9,13,15,17-pentaen-2-yl]-2-hydroxyethyl]sulanylpropanoic acid