CHEBI:228856 - Caudatin

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 Caudatin
ChEBI ID CHEBI:228856
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H42O7
Net Charge 0
Average Mass 490.637
Monoisotopic Mass 490.29305
InChI InChI=1S/C28H42O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,20-22,30,32-34H,8-12,14-15H2,1-6H3/b17-13+/t20-,21+,22+,24-,25+,26-,27-,28+/m0/s1
InChIKey VWLXIXALPNYWFH-UBHIOMQOSA-N
SMILES O[C@]12[C@]([C@H](OC(=O)/C=C(/C(C)C)\C)C[C@]3([C@@]1(O)CC=C4[C@@]3(CC[C@H](O)C4)C)[H])([C@](O)(CC2)C(=O)C)C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
Roles Classification
Biological Role(s): hormone
Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
(via steroid hormone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Caudatin (CHEBI:228856) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name
[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
Manual Xref Database
28428683 ChemSpider
View more database links