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CHEBI:208221 - Lichenysin-G9a

ChEBI IDCHEBI:208221
ChEBI NameLichenysin-G9a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H96N8O12
Net Charge0
Average Mass1049.406
Monoisotopic Mass1048.71477
SMILESCCC(C)CCCCCCCCC1CC(=O)NC(CCC(N)=O)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)O1
InChIInChI=1S/C54H96N8O12/c1-13-33(9)23-21-19-17-18-20-22-24-37-29-43(64)56-38(25-26-42(55)63)48(67)60-45(34(10)14-2)52(71)58-40(28-32(7)8)50(69)61-46(35(11)15-3)53(72)59-41(30-44(65)66)49(68)57-39(27-31(5)6)51(70)62-47(36(12)16-4)54(73)74-37/h31-41,45-47H,13-30H2,1-12H3,(H2,55,63)(H,56,64)(H,57,68)(H,58,71)(H,59,72)(H,60,67)(H,61,69)(H,62,70)(H,65,66)
InChIKeyIKZAEPXVDFABJH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus licheniformis (ncbitaxon:1402) - PubMed (10395272)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lichenysin-G9a (CHEBI:208221) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[21-(3-amino-3-oxopropyl)-3,12,18-tri(butan-2-yl)-6,15-bis(2-methylpropyl)-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid
Manual XrefsDatabases
78444132ChemSpider