EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205301 - Spirangien Q

ChEBI IDCHEBI:205301
ChEBI NameSpirangien Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H70O9
Net Charge0
Average Mass707.002
Monoisotopic Mass706.50198
SMILESC/C=C(\C)C[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H](C[C@@H](O)CC[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C\C=C/C=C/C=C\[C@H](CC(=O)O)OC)OC
InChIInChI=1S/C41H70O9/c1-11-27(2)24-30(5)40(47)33(8)41(48)31(6)36(50-10)25-34(42)23-22-29(4)39(46)32(7)38(45)28(3)20-18-16-14-12-13-15-17-19-21-35(49-9)26-37(43)44/h11-21,28-36,38-42,45-48H,22-26H2,1-10H3,(H,43,44)/b13-12-,16-14+,17-15+,20-18-,21-19-,27-11+/t28-,29-,30+,31+,32-,33+,34-,35+,36+,38-,39-,40-,41-/m0/s1
InChIKeyHZOUDIFUHLUPSN-OVMXKOPESA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - DOI (10.1002/ejoc.201403353)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Spirangien Q (CHEBI:205301) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(3S,4Z,6E,8Z,10E,12Z,14S,15S,16R,17S,18S,21S,23R,24S,25R,26R,27S,28R,30E)-15,17,21,25,27-pentahydroxy-3,23-dimethoxy-14,16,18,24,26,28,30-heptamethyldotriaconta-4,6,8,10,12,30-hexaenoic acid
Manual XrefsDatabases
78437264ChemSpider