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CHEBI:200910 - [Val7]lichenysin G13

ChEBI IDCHEBI:200910
ChEBI Name[Val7]lichenysin G13
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H88N8O12
Net Charge0
Average Mass993.298
Monoisotopic Mass992.65217
SMILESCCC(C)CCCCCCC1CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O1
InChIInChI=1S/C50H88N8O12/c1-13-32(12)18-16-14-15-17-19-33-25-40(60)52-34(20-21-39(51)59)44(63)53-35(22-27(2)3)45(64)54-36(23-28(4)5)47(66)57-42(30(8)9)49(68)56-38(26-41(61)62)46(65)55-37(24-29(6)7)48(67)58-43(31(10)11)50(69)70-33/h27-38,42-43H,13-26H2,1-12H3,(H2,51,59)(H,52,60)(H,53,63)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,61,62)/t32?,33?,34-,35-,36+,37+,38-,42-,43-/m0/s1
InChIKeyRLVTUVFCUNTCND-PWKIRCGZSA-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)
[Val7]lichenysin G13 (CHEBI:200910) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(3S,6R,9S,12S,15R,18S,21S)-21-(3-amino-3-oxopropyl)-25-(7-methylnonyl)-6,15,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid
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