CHEBI:203569 - Promomycin

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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 Promomycin
ChEBI ID CHEBI:203569
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C43H74O13
Net Charge 0
Average Mass 799.052
Monoisotopic Mass 798.51294
InChI InChI=1S/C43H74O13/c1-21-19-29(36-25(5)34(49-13)26(6)41(11,46)53-36)51-37(21)40(10)16-15-31(52-40)39(9)17-18-42(56-39)20-30(48-12)22(2)32(54-42)23(3)33-24(4)35(50-14)27(7)43(47,55-33)28(8)38(44)45/h21-37,46-47H,15-20H2,1-14H3,(H,44,45)/t21-,22+,23+,24-,25-,26+,27+,28+,29+,30-,31+,32-,33+,34?,35-,36-,37+,39-,40-,41-,42+,43+/m0/s1
InChIKey LJJGQEWDYNPVSH-WCGOFJCCSA-N
SMILES O=C(O)[C@H]([C@@]1(O[C@@H]([C@H](C)[C@@H]([C@H]1C)OC)[C@@H]([C@H]2O[C@]3(O[C@@]([C@@H]4O[C@@]([C@@H]5O[C@@H]([C@H]6O[C@](O)([C@H](C)C([C@@H]6C)OC)C)C[C@@H]5C)(C)CC4)(C)CC3)C[C@@H]([C@H]2C)OC)C)O)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Promomycin (CHEBI:203569) is a ketal (CHEBI:59777)
IUPAC Name
(2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid
Manual Xref Database
78437029 ChemSpider
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