Search MNXref
 Feedback

24-epi-brassinolide

MNXM819647 is deprecated and here replaced by MNXM1108442
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108442 Image of MNXM1108442
referencechebi:27722
formulaC28H48O6
global charge0
mol weight480.686
InChIKeyIXVMHGVQKLDRKH-QHBHMFGVSA-N
InChIInChI=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
SMILESCC(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@]12C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1108442
SMILES (mnx)[CH3:1][CH:14]([CH3:2])[C@@H:15]([CH3:3])[C@H:24]([C@@H:25]([C@@H:16]([CH3:4])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C@@H:17]3[CH2:13][O:34][C:26](=[O:33])[C@H:21]4[CH2:11][C@H:22]([OH:29])[C@H:23]([OH:30])[CH2:12][C@:28]4([CH3:6])[C@H:20]3[CH2:9][CH2:10][C@:27]12[CH3:5])[OH:32])[OH:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27722
chebi:27722
IXVMHGVQKLDRKH-QHBHMFGVSA-N 		24-epi-brassinolide
(22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-7a-homo-7-oxa-5alpha-ergostan-6-one
24-epi-Brassinolide

kegg.compound:C11049
keggC:C11049
IXVMHGVQKLDRKH-QHBHMFGVSA-N 		24-epi-Brassinolide

sabiork.compound:13127
sabiorkM:13127
IXVMHGVQKLDRKH-QHBHMFGVSA-N 		24-epi-Brassinolide
24-Epibrassinolide

seed.compound:cpd07933
seedM:cpd07933
IXVMHGVQKLDRKH-QHBHMFGVSA-N 		24-epi-Brassinolide
24-epibrassinolide

lipidmaps:LMST01140002
lipidmapsM:LMST01140002
IXVMHGVQKLDRKH-QHBHMFGVSA-N 		24-epi-brassinolide
(22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-7a-homo-7-oxa-5alpha-ergostan-6-one
24-epi-Brassinolide
O6
ST 28:1

metacyc.compound:CPD-11835
metacycM:CPD-11835
IXVMHGVQKLDRKH-QHBHMFGVSA-N 		24-epibrassinolide
hmdb:HMDB0034081
IXVMHGVQKLDRKH-QHBHMFGVSA-N 		Brassinolide
(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one
2,3,22,23-Tetrahydroxy-24-methyl-b-homo-7-oxacholestan-6-one
24-Epibrassinolide
24-epi-brassinolide
2alpha,3alpha,22alpha,23alpha-Tetrahydroxy-24alpha-methyl-b-homo-7-oxa-5alpha-cholestan-6-one
Brassinolide, (2alpha,3alpha,5alpha,22S,23S)-isomer
Brassinolide, (2alpha,3alpha,5alpha.22R,23R)-isomer

hmdb:HMDB34081
chebi:1308
chebi:19808
keggC:M_C11049
seedM:M_cpd07933 		secondary/obsolete/fantasy identifier