CHEBI:27722 - 24-epi-brassinolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 24-epi-brassinolide
ChEBI ID CHEBI:27722
ChEBI ASCII Name 24-epi-brassinolide
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1308, CHEBI:19808
Supplier Information
Download Molfile XML SDF
Formula C28H48O6
Net Charge 0
Average Mass 480.67712
Monoisotopic Mass 480.34509
InChI InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1
InChIKey IXVMHGVQKLDRKH-QHBHMFGVSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])COC(=O)[C@@]4([H])C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C
ChEBI Ontology
Outgoing 24-epi-brassinolide (CHEBI:27722) is a 2α-hydroxy steroid (CHEBI:36858)
24-epi-brassinolide (CHEBI:27722) is a 22-hydroxy steroid (CHEBI:36863)
24-epi-brassinolide (CHEBI:27722) is a 23-hydroxy steroid (CHEBI:36866)
24-epi-brassinolide (CHEBI:27722) is a 3α-hydroxy steroid (CHEBI:36835)
24-epi-brassinolide (CHEBI:27722) is a brassinosteroid (CHEBI:22921)
IUPAC Name
(22R,23R)-2α,3α,22,23-tetrahydroxy-7a-homo-7-oxa-5α-ergostan-6-one
Synonym Source
24-epi-Brassinolide KEGG COMPOUND
Manual Xrefs Databases
C00000180 KNApSAcK
C11049 KEGG COMPOUND
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Last Modified
28 July 2014