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CHEBI:211288 - [Val7]lichenysin G14

ChEBI IDCHEBI:211288
ChEBI Name[Val7]lichenysin G14
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H90N8O12
Net Charge0
Average Mass1007.325
Monoisotopic Mass1006.66782
SMILESCC(C)CCCCCCCCC1CC(=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/C51H90N8O12/c1-28(2)19-17-15-13-14-16-18-20-34-26-41(61)53-35(21-22-40(52)60)45(64)54-36(23-29(3)4)46(65)55-37(24-30(5)6)48(67)58-43(32(9)10)50(69)57-39(27-42(62)63)47(66)56-38(25-31(7)8)49(68)59-44(33(11)12)51(70)71-34/h28-39,43-44H,13-27H2,1-12H3,(H2,52,60)(H,53,61)(H,54,64)(H,55,65)(H,56,66)(H,57,69)(H,58,67)(H,59,68)(H,62,63)/t34?,35-,36-,37+,38+,39-,43-,44-/m0/s1
InChIKeyZOPOQQIYRGAAQO-YEENUNMYSA-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 G14 (CHEBI:211288) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(3S,6R,9S,12S,15R,18S,21S)-21-(3-amino-3-oxopropyl)-25-(9-methyldecyl)-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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