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CHEBI:198118 - Heliconol C

ChEBI IDCHEBI:198118
ChEBI NameHeliconol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O7
Net Charge0
Average Mass332.393
Monoisotopic Mass332.18350
SMILESO=C(O)CCCCCCCC[C@H]1O[C@]2(O)CC[C@H](O)[C@]2(O)[C@@H]1O
InChIInChI=1S/C16H28O7/c17-12-9-10-15(21)16(12,22)14(20)11(23-15)7-5-3-1-2-4-6-8-13(18)19/h11-12,14,17,20-22H,1-10H2,(H,18,19)/t11-,12+,14-,15-,16+/m1/s1
InChIKeyMJUTVWBUXZBUHW-IPQWEPCOSA-N
Species of MetaboliteComponentSourceComments
Helicodendron giganteum (ncbitaxon:2075038) - PubMed (16836363)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Heliconol C (CHEBI:198118) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
9-[(2R,3R,3aS,4S,6aR)-3,3a,4,6a-tetrahydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]uran-2-yl]nonanoic acid
Manual XrefsDatabases
10019595ChemSpider