CHEBI:213194 - Lyngbyabellin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lyngbyabellin A
ChEBI ID CHEBI:213194
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H40Cl2N4O7S2
Net Charge 0
Average Mass 691.680
Monoisotopic Mass 690.17155
InChI InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)/t15-,18-,20-,21+/m0/s1
InChIKey VJSNPXXBMRWPEJ-CEDBRAGKSA-N
SMILES ClC(Cl)(CCC[C@@H]1OC(=O)C=2N=C([C@@H](NC(=O)CNC(C=3N=C([C@@H](OC(C1(C)C)=O)C(O)(C)C)SC3)=O)[C@H](CC)C)SC2)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Lyngbyabellin A (CHEBI:213194) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(7S,14S,18S)-7-[(2S)-butan-2-yl]-14-(4,4-dichloropentyl)-18-(2-hydroxypropan-2-yl)-15,15-dimethyl-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
Manual Xref Database
10235645 ChemSpider
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