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CHEBI:215699 - 27-deoxylyngbyabellin A

ChEBI IDCHEBI:215699
ChEBI Name27-deoxylyngbyabellin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40Cl2N4O6S2
Net Charge0
Average Mass675.701
Monoisotopic Mass674.17663
SMILESCC[C@H](C)[C@@H]1NC(=O)CNC(=O)c2csc(n2)[C@H](C(C)C)OC(=O)C(C)(C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc1n2
InChIInChI=1S/C29H40Cl2N4O6S2/c1-8-16(4)21-24-34-18(14-42-24)26(38)40-19(10-9-11-29(7,30)31)28(5,6)27(39)41-22(15(2)3)25-33-17(13-43-25)23(37)32-12-20(36)35-21/h13-16,19,21-22H,8-12H2,1-7H3,(H,32,37)(H,35,36)/t16-,19-,21-,22-/m0/s1
InChIKeyMXKVWNSSDRMDBC-PWZKMPOXSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - PubMed (20704304)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
27-deoxylyngbyabellin A (CHEBI:215699) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(7S,14S,18S)-7-[(2S)-butan-2-yl]-14-(4,4-dichloropentyl)-15,15-dimethyl-18-propan-2-yl-13,17-dioxa-9,20-dithia-3,6,22,23-tetrazatricyclo[17.2.1.18,11]tricosa-1(21),8(23),10,19(22)-tetraene-2,5,12,16-tetrone
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