CHEBI:212146 - Erythrazole 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 Erythrazole A
ChEBI ID CHEBI:212146
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H42N2O7S
Net Charge 0
Average Mass 586.740
Monoisotopic Mass 586.27127
InChI InChI=1S/C31H42N2O7S/c1-19(9-6-10-20(2)13-8-14-22(4)31(38)39)11-7-12-21(3)15-16-23-27(36)25(40-5)17-24-28(23)41-30(33-24)29(37)32-18-26(34)35/h10-11,15,17,22,36H,6-9,12-14,16,18H2,1-5H3,(H,32,37)(H,34,35)(H,38,39)/b19-11+,20-10+,21-15+/t22-/m0/s1
InChIKey BWBXJAHQKZPMSE-JVRDZCOLSA-N
SMILES S1C2=C(C(O)=C(OC)C=C2N=C1C(=O)NCC(=O)O)C/C=C(/CC/C=C(/CC/C=C(/CCC[C@@H](C(=O)O)C)\C)\C)\C
Metabolite of Species Details
Erythrobacter (NCBI:txid1041) See: DOI
ChEBI Ontology
Outgoing Erythrazole A (CHEBI:212146) is a diterpenoid (CHEBI:23849)
IUPAC Name
(6E,10E,14E)-16-[2-(carboxymethylcarbamoyl)-6-hydroxy-5-methoxy-1,3-benzothiazol-7-yl]-2,6,10,14-tetramethylhexadeca-6,10,14-trienoic acid
Manual Xref Database
28289543 ChemSpider
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