CHEBI:197732 - Spirangien G

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 Spirangien G
ChEBI ID CHEBI:197732
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H66O10
Net Charge 0
Average Mass 718.969
Monoisotopic Mass 718.46560
InChI InChI=1S/C41H66O10/c1-26(20-21-42)22-28(3)38(47)32(7)40-30(5)34(49-9)25-41(51-40)35(43)23-29(4)39(50-41)31(6)37(46)27(2)18-16-14-12-10-11-13-15-17-19-33(48-8)24-36(44)45/h10-20,27-35,37-40,42-43,46-47H,21-25H2,1-9H3,(H,44,45)/b11-10-,14-12+,15-13+,18-16-,19-17-,26-20+/t27-,28-,29-,30+,31-,32+,33+,34+,35-,37-,38-,39-,40-,41+/m0/s1
InChIKey STVCQEJBQVSPCR-RDDIVXQQSA-N
SMILES O=C(O)C[C@H](OC)/C=C\C=C\C=C/C=C/C=C\[C@@H]([C@H](O)[C@@H]([C@H]1O[C@]2(O[C@@H]([C@H](C)[C@@H](C2)OC)[C@@H]([C@@H](O)[C@H](C/C(=C/CO)/C)C)C)[C@@H](O)C[C@@H]1C)C)C
Metabolite of Species Details
Sorangium (NCBI:txid39643) See: DOI
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 Spirangien G (CHEBI:197732) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(3S,4Z,6E,8Z,10E,12Z,14S,15S,16S)-16-[(2R,3R,4R,6R,8S,9S,11S)-2-[(E,2R,3S,4S)-3,8-dihydroxy-4,6-dimethyloct-6-en-2-yl]-11-hydroxy-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-15-hydroxy-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid
Manual Xref Database
78436261 ChemSpider
View more database links