CHEBI:227042 - Zopfiellamide B

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 Zopfiellamide B
ChEBI ID CHEBI:227042
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H37NO6
Net Charge 0
Average Mass 459.583
Monoisotopic Mass 459.26209
InChI InChI=1S/C26H37NO6/c1-5-16(3)26(33,25(31)32)14-20-23(29)22(24(30)27(20)4)21(28)13-12-18-15(2)10-11-17-8-6-7-9-19(17)18/h10-13,15-20,28,33H,5-9,14H2,1-4H3,(H,31,32)/b13-12+,22-21?/t15-,16?,17+,18-,19-,20?,26?/m0/s1
InChIKey VLOSGEBNEZBLPE-YFIMHYGWSA-N
SMILES O=C1N(C(CC(O)(C(=O)O)C(CC)C)C(C1=C(O)/C=C/[C@@H]2[C@@H]3[C@@H](C=C[C@@H]2C)CCCC3)=O)C
Metabolite of Species Details
Zopfiella (NCBI:txid252180) 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 Zopfiellamide B (CHEBI:227042) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name
2-[[4-[(E)-3-[(1S,2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-1-hydroxyprop-2-enylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]methyl]-2-hydroxy-3-methylpentanoic acid
Manual Xref Database
78445231 ChemSpider
View more database links