CHEBI:205703 - TAN-1518 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 TAN-1518 A
ChEBI ID CHEBI:205703
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H41NO15
Net Charge 0
Average Mass 763.749
Monoisotopic Mass 763.24762
InChI InChI=1S/C39H41NO15/c1-6-15(2)36(49)54-31-16(3)53-24(14-23(31)42)18-11-12-19-25(28(18)43)29(44)26-20(38(19,4)52-5)13-21-32(55-37(50)17-9-7-8-10-22(17)41)30(45)27(35(40)48)34(47)39(21,51)33(26)46/h6-12,16,20-21,23-24,31-32,41-44,47,51H,13-14H2,1-5H3,(H2,40,48)/b15-6-
InChIKey SNWJINGOFNDVIF-UUASQNMZSA-N
SMILES O=C1C2=C(O)C3=C(O)C(=CC=C3C(C2CC4C1(O)C(O)=C(C(=O)C4OC(=O)C5=C(O)C=CC=C5)C(=O)N)(OC)C)C6OC(C(OC(=O)/C(=C\C)/C)C(C6)O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via tetracyclines )
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ChEBI Ontology
Outgoing TAN-1518 A (CHEBI:205703) is a tetracyclines (CHEBI:26895)
IUPAC Name
[3-carbamoyl-4,4a,6,7-tetrahydroxy-8-[4-hydroxy-6-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]-11-methoxy-11-methyl-2,5-dioxo-1,11a,12,12a-tetrahydrotetracen-1-yl] 2-hydroxybenzoate
Manual Xref Database
78444842 ChemSpider
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