CHEBI:212400 - Largazole

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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 Largazole
ChEBI ID CHEBI:212400
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H42N4O5S3
Net Charge 0
Average Mass 622.860
Monoisotopic Mass 622.23173
InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
InChIKey AXESYCSCGBQJBL-SZPBEECKSA-N
SMILES S1C2=NC(=C1)C=3SC[C@](N3)(C(=O)N[C@@H](C(C)C)C(O[C@@H](CC(NC2)=O)/C=C/CCSC(=O)CCCCCCC)=O)C
Metabolite of Species Details
Symploca (NCBI:txid105591) 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 Largazole (CHEBI:212400) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
S-[(E)-4-[(5R,8S,11S)-5-methyl-6,9,13-trioxo-8-propan-2-yl-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-trien-11-yl]but-3-enyl] octanethioate
Manual Xref Database
24747365 ChemSpider
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