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CHEBI:198106 - [Val7]lichenysin G15

ChEBI IDCHEBI:198106
ChEBI Name[Val7]lichenysin G15
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H92N8O12
Net Charge0
Average Mass1021.352
Monoisotopic Mass1020.68347
SMILESCCC(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/C52H92N8O12/c1-13-34(12)20-18-16-14-15-17-19-21-35-27-42(62)54-36(22-23-41(53)61)46(65)55-37(24-29(2)3)47(66)56-38(25-30(4)5)49(68)59-44(32(8)9)51(70)58-40(28-43(63)64)48(67)57-39(26-31(6)7)50(69)60-45(33(10)11)52(71)72-35/h29-40,44-45H,13-28H2,1-12H3,(H2,53,61)(H,54,62)(H,55,65)(H,56,66)(H,57,67)(H,58,70)(H,59,68)(H,60,69)(H,63,64)/t34?,35?,36-,37-,38+,39+,40-,44-,45-/m0/s1
InChIKeyRERWMTKHDRRQPC-WXXNZXMZSA-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 G15 (CHEBI:198106) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(3S,6R,9S,12S,15R,18S,21S)-21-(3-amino-3-oxopropyl)-6,15,18-tris(2-methylpropyl)-25-(9-methylundecyl)-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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