CHEBI:226418 - Pteridic acid D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pteridic acid D
ChEBI ID CHEBI:226418
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H30O6
Net Charge 0
Average Mass 342.432
Monoisotopic Mass 342.20424
InChI InChI=1S/C18H30O6/c1-9(6-7-15(20)21)17-11(3)16(22)12(4)18(24-17)8-14(19)10(2)13(5)23-18/h6-7,9-14,16-17,19,22H,8H2,1-5H3,(H,20,21)/b7-6+/t9-,10+,11-,12-,13+,14+,16+,17-,18-/m0/s1
InChIKey LLALUPXXNUSSKT-DBVHRIDCSA-N
SMILES O=C(O)/C=C/[C@@H]([C@@H]1O[C@]2(O[C@@H]([C@@H](C)[C@@H](C2)O)C)[C@@H](C)[C@@H]([C@@H]1C)O)C
Metabolite of Species Details
Streptomycesspecies SCSGAA 0027 (NCBI:txid2979574) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Pteridic acid D (CHEBI:226418) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name
(E,4S)-4-[(2S,3S,4R,5S,6S,8R,9S,10R)-4,10-dihydroxy-3,5,8,9-tetramethyl-1,7-dioxaspiro[5.5]undecan-2-yl]pent-2-enoic acid
Manual Xref Database
62277910 ChemSpider
View more database links