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CHEBI:202450 - Lichenysin G15

ChEBI IDCHEBI:202450
ChEBI NameLichenysin G15
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H94N8O12
Net Charge0
Average Mass1035.379
Monoisotopic Mass1034.69912
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCCCCCCC(C)C)OC1=O
InChIInChI=1S/C53H94N8O12/c1-13-35(12)46-53(72)73-36(22-20-18-16-14-15-17-19-21-30(2)3)28-43(63)55-37(23-24-42(54)62)47(66)56-38(25-31(4)5)48(67)57-39(26-32(6)7)50(69)60-45(34(10)11)52(71)59-41(29-44(64)65)49(68)58-40(27-33(8)9)51(70)61-46/h30-41,45-46H,13-29H2,1-12H3,(H2,54,62)(H,55,63)(H,56,66)(H,57,67)(H,58,68)(H,59,71)(H,60,69)(H,61,70)(H,64,65)/t35-,36?,37-,38-,39+,40+,41-,45-,46-/m0/s1
InChIKeyUFXZNDDRRLHZPP-RBBWHCKKSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - 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 G15 (CHEBI:202450) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(3S,6R,9S,12S,15R,18S,21S)-21-(3-amino-3-oxopropyl)-3-[(2S)-butan-2-yl]-6,15,18-tris(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid
Manual XrefsDatabases
8504160ChemSpider