CHEBI:225119 - 16,17-dehydrorifamycin G

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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 16,17-dehydrorifamycin G
ChEBI ID CHEBI:225119
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H45NO12
Net Charge 0
Average Mass 683.751
Monoisotopic Mass 683.29418
InChI InChI=1S/C36H45NO12/c1-16-11-10-12-17(2)35(44)37-25-15-23(39)26-27-32(21(6)30(42)33(26)48-25)49-36(8,34(27)43)46-14-13-24(45-9)18(3)31(47-22(7)38)20(5)29(41)19(4)28(16)40/h10-16,18-20,24,28-29,31,40-42H,1-9H3,(H,37,44)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,28-,29+,31+,36-/m0/s1
InChIKey FONPPYGJUVVMEY-KSPWGVMOSA-N
SMILES O=C1NC=2OC3=C(O)C(=C4O[C@@](C(C4=C3C(C2)=O)=O)(OC=C[C@H](OC)[C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C1C)C)O)C)O)C)OC(=O)C)C)C)C
Metabolite of Species Details
Nocardia (NCBI:txid1817) See: PubMed
ChEBI Ontology
Outgoing 16,17-dehydrorifamycin G (CHEBI:225119) is a azamacrocycle (CHEBI:52898)
16,17-dehydrorifamycin G (CHEBI:225119) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,29,30-trioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
Manual Xref Database
78443292 ChemSpider
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