EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205254 - Hexacyclinic acid

ChEBI IDCHEBI:205254
ChEBI NameHexacyclinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O9
Net Charge0
Average Mass490.549
Monoisotopic Mass490.22028
SMILESCC(=O)O[C@H]1[C@H](C)[C@@H](O)[C@H]2[C@@H]1C=C(C(=O)O)[C@H]1C[C@@H]3[C@H]([C@H]21)[C@H]1C(=O)O[C@@H]2CC[C@@]3(C)O[C@]1(O)[C@@H]2C
InChIInChI=1S/C26H34O9/c1-9-21(28)18-14(22(9)33-11(3)27)7-13(23(29)30)12-8-15-19(17(12)18)20-24(31)34-16-5-6-25(15,4)35-26(20,32)10(16)2/h7,9-10,12,14-22,28,32H,5-6,8H2,1-4H3,(H,29,30)/t9-,10-,12-,14+,15-,16-,17+,18+,19-,20+,21-,22+,25-,26-/m1/s1
InChIKeyOTGHTIDLDTWPFJ-ROQUJFDLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11028069)
ChEBI Ontology
Outgoing Relation(s)
Hexacyclinic acid (CHEBI:205254) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1R,2R,4S,7S,8R,9R,10S,11R,12S,13S,14R,17R,18R,19R)-8-acetyloxy-10,19-dihydroxy-1,9,18-trimethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docos-5-ene-5-carboxylic acid
Manual XrefsDatabases
8800281ChemSpider