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brassinolide

MNXM819643 is deprecated and replaced by MNXM739698

Properties

Image

Occurences in reactions

MNX_ID

MNXM739698

	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	0

formula

C₂₈H₄₈O₆

charge

mass

480.34509

reference

chebi:28277

InChIKey

IXVMHGVQKLDRKH-KNBKMWSGSA-N

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+/m0/s1

SMILES

CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28277 chebi:28277	brassinolide (22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-6,7-seco-5alpha-campestano-6,7-lactone (22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-7a-homo-7-oxa-5alpha-campestan-6-one Brassinolide
sabiork.compound:10906 sabiorkM:10906 kegg.compound:C08814 keggC:C08814	Brassinolide
lipidmaps:LMST01140001 lipidmapsM:LMST01140001	Brassinolide 2alpha,3alpha,22R,23R-tetrahydroxy-6,7-seco-5-campestano-6,7-lactone 2alpha-3alpha,22R,23R-tetrahydroxy-24-methyl-6,7-s-5alpha-cholestano-6,7-lactone O6 ST 28:1
seed.compound:cpd05719 seedM:cpd05719	Brassinolide brassinolide
metacyc.compound:CPD-697 metacycM:CPD-697	brassinolide
chebi:22920 chebi:3169 keggC:M_C08814 seedM:M_cpd05719	secondary/obsolete/fantasy identifier