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CHEBI:222040 - Phenelfamycin C

ChEBI IDCHEBI:222040
ChEBI NamePhenelfamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H83NO18
Net Charge0
Average Mass1082.291
Monoisotopic Mass1081.56101
SMILESC/C=C\C=C\[C@@H]1O[C@](O)([C@@H](CO[C@H]2C[C@@H](OC)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O)[C@H](C)O3)[C@@H](C)O2)C(=O)NC/C=C\C=C(/C)[C@@H](OC)[C@@H](C)[C@@H]2C[C@@H](O)[C@H](/C=C/C=C/C=C\C(=O)O)O2)[C@@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C
InChIInChI=1S/C58H83NO18/c1-11-12-16-27-46-57(6,7)54(65)55(75-48(63)30-39-24-17-15-18-25-39)58(67,77-46)40(34-71-49-33-45(69-9)53(38(5)73-49)76-50-32-44(68-8)51(64)37(4)72-50)56(66)59-29-22-21-23-35(2)52(70-10)36(3)43-31-41(60)42(74-43)26-19-13-14-20-28-47(61)62/h11-28,36-38,40-46,49-55,60,64-65,67H,29-34H2,1-10H3,(H,59,66)(H,61,62)/b12-11-,14-13+,22-21-,26-19+,27-16+,28-20-,35-23+/t36-,37-,38+,40-,41+,42-,43-,44-,45+,46-,49+,50+,51+,52+,53-,54-,55-,58+/m0/s1
InChIKeyCFQHTKGGWFGEKG-JBRNNAQCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3192490)
ChEBI Ontology
Outgoing Relation(s)
Phenelfamycin C (CHEBI:222040) is a glycoside (CHEBI:24400)
IUPAC Name 
(2Z,4E,6E)-7-[(2S,3R,5S)-5-[(2S,3S,4E,6Z)-8-[[(2R)-2-[(2R,3S,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2R,4R,5S,6R)-5-[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid
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