CHEBI:197824 - Naphthomycin 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 Naphthomycin A
ChEBI ID CHEBI:197824
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H46ClNO9
Net Charge 0
Average Mass 720.260
Monoisotopic Mass 719.28611
InChI InChI=1S/C40H46ClNO9/c1-20-11-9-8-10-12-23(4)40(51)42-34-33(41)39(50)31-28(38(34)49)18-26(7)37(48)32(31)36(47)25(6)17-24(5)35(46)22(3)14-16-27(43)15-13-21(2)30(45)19-29(20)44/h8-14,16-18,20,22,24,27,29,35,43-44,46,48H,15,19H2,1-7H3,(H,42,51)/b10-8-,11-9+,16-14+,21-13+,23-12-,25-17+/t20-,22-,24-,27-,29-,35-/m0/s1
InChIKey AXEGRHYJHHPVDH-UMKVKWLOSA-N
SMILES ClC1=C2NC(=O)C(=CC=CC=C[C@@H]([C@@H](O)CC(=O)C(C)=CC[C@@H](C=C[C@@H]([C@@H]([C@H](C=C(C(C=3C(C1=O)=C(C2=O)C=C(C)C3O)=O)C)C)O)C)O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Naphthomycin A (CHEBI:197824) is a azamacrocycle (CHEBI:52898)
Naphthomycin A (CHEBI:197824) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name
(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
Manual Xref Database
28644765 ChemSpider
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