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CHEBI:221080 - Quinolidomicin A1

ChEBI IDCHEBI:221080
ChEBI NameQuinolidomicin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC83H132O23S
Net Charge0
Average Mass1530.013
Monoisotopic Mass1528.88801
SMILESCO[C@H](CC[C@@H](C)/C=C/C=C/[C@H]1C[C@@H](O)C[C@@H](O)CCCC[C@H](C)CC[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C/[C@H](O)CC(=O)C[C@H](O)C/C=C\C=C/[C@@H](O)C[C@H](O)C[C@@H](O)CC[C@H](C)[C@H](O)C[C@@H](O)[C@@H](C)[C@H](O)/C(C)=C\C=C/[C@H](C)[C@@H](O)[C@H](C)[C@H]2O[C@@](O)(CC(=O)O1)C[C@H](O)[C@@H]2C)C1=C(SC)C(=O)C=C(O)C1=O
InChIInChI=1S/C83H132O23S/c1-51-24-19-21-32-63(88)44-68(93)46-69(33-22-20-25-52(2)35-39-75(104-9)77-80(102)72(96)48-73(97)82(77)107-10)105-76(99)50-83(103)49-74(98)57(7)81(106-83)58(8)79(101)55(5)27-23-26-54(4)78(100)56(6)71(95)47-70(94)53(3)36-38-65(90)45-67(92)43-62(87)31-18-14-17-30-61(86)42-66(91)41-60(85)29-16-13-11-12-15-28-59(84)40-64(89)37-34-51/h11-18,20,22-23,25-27,29,31,33,48,51-53,55-65,67-71,74-75,78-79,81,84-90,92-96,98,100-101,103H,19,21,24,28,30,32,34-47,49-50H2,1-10H3/b13-11-,15-12-,17-14-,25-20+,27-23-,29-16+,31-18-,33-22+,54-26-/t51-,52-,53-,55-,56+,57-,58-,59-,60-,61+,62+,63-,64+,65-,67-,68-,69-,70+,71+,74-,75+,78+,79+,81-,83+/m0/s1
InChIKeyICRSVVBHIOAZHM-OQVQJVJTSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (8244884)
ChEBI Ontology
Outgoing Relation(s)
Quinolidomicin A1 (CHEBI:221080) is a p-quinones (CHEBI:25830)
Quinolidomicin A1 (CHEBI:221080) is a benzoquinones (CHEBI:22729)
IUPAC Name 
(1R,5R,7S,9S,14S,17R,19S,21Z,23Z,25E,27R,31R,33Z,35E,37S,39R,41S,44S,45R,47R,48R,49S,50E,52Z,54S,55R,56S,57S,58S,59S)-1,7,9,17,19,27,31,37,39,41,45,47,49,55,59-pentadecahydroxy-5-[(1E,3E,5R,8R)-8-(5-hydroxy-2-methylsulanyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-8-methoxy-5-methylocta-1,3-dienyl]-14,44,48,50,54,56,58-heptamethyl-4,61-dioxabicyclo[55.3.1]henhexaconta-21,23,25,33,35,50,52-heptaene-3,29-dione