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CHEBI:203542 - [Ile2,4]lichenysin G15

ChEBI IDCHEBI:203542
ChEBI Name[Ile2,4]lichenysin G15
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H96N8O12
Net Charge0
Average Mass1049.406
Monoisotopic Mass1048.71477
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCCCCCCC(C)C)OC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC1=O
InChIInChI=1S/C54H96N8O12/c1-13-34(10)45-52(71)58-40(28-33(8)9)50(69)61-46(35(11)14-2)53(72)59-41(30-44(65)66)49(68)57-39(27-32(6)7)51(70)62-47(36(12)15-3)54(73)74-37(24-22-20-18-16-17-19-21-23-31(4)5)29-43(64)56-38(48(67)60-45)25-26-42(55)63/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)/t34-,35-,36-,37?,38-,39+,40+,41-,45-,46-,47-/m0/s1
InChIKeyRXJDVEBMQNNQOS-FTVYHRNRSA-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)
[Ile2,4]lichenysin G15 (CHEBI:203542) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(3S,6R,9S,12S,15R,18S,21S)-21-(3-amino-3-oxopropyl)-3,12,18-tris[(2S)-butan-2-yl]-6,15-bis(2-methylpropyl)-25-(10-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
78437026ChemSpider